4-(2-naphthyl)-1,3-thiazol-2-amine

2-Amino-4-(2-naphthyl)thiazole
2-Amino-4-(naphthalen-2-yl)thiazole
2-Amino-4-β-naphthylthiazole
2-Thiazolamine, 4-(2-naphthalenyl)-
4-(2-Naphthalenyl)-2-thiazolamine
4-(2-Naphthyl)-2-amino-1,3-thiazole
Thiazole, 2-amino-4-(2-naphthyl)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GWDNDNTTXIIXRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)
IUPAC name chemrof:IUPAC_name	4-(2-naphthyl)-1,3-thiazol-2-amine
Molecular formula chemrof:molecular_formula	C13H10N2S
Molecular mass chemrof:molecular_mass	226.304
Monoisotopic mass chemrof:monoisotopic_mass	226.056469
SMILES string chemrof:smiles_string	Nc1nc(-c2ccc3ccccc3c2)cs1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=21331-43-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.113.127	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70350105	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1372017	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.383.114G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/673702	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82125871	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
341cd37c-c5fb-4d23-8f04-8c854de7e7e0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
204335b6-96af-4751-a305-b247eb73a6d8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
f4f71f7f-3e30-43ff-b9b8-ec02f84a6c67	Environmental → Air → Indoor	EF 3.1	kg	2
5f8c49d9-cae6-474c-a431-32e358dfa5fa	Environmental → Air → Long-term	EF 3.1	kg	0
3ae3e4f6-f80d-49e8-b423-114133213a8c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
82b46e79-9b2d-4714-bcf2-fd198fdded0f	Environmental → Air → Unknown	EF 3.1	kg	2
a7e4955f-c9df-4b64-b3d2-6d6b96673858	Environmental → Ground → Agricultural	EF 3.1	kg	2
3914947e-9d46-42ce-9ac3-94641328049a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
b0329e88-2df3-4891-bba1-54605d3705f9	Environmental → Ground → Unknown	EF 3.1	kg	2
544e2322-75ac-4bc1-816a-1f9a191cd96f	Environmental → Water → Long-term	EF 3.1	kg	0
9df77ede-bd70-497c-9a21-5b9c78665370	Environmental → Water → Ocean	EF 3.1	kg	2
283e46f4-e567-4e80-8f8b-d89bbe86e51a	Environmental → Water → Surface water	EF 3.1	kg	2
f9aed0b5-3106-4968-b467-d4a1bae52c35	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-34d15cfd70a4b714",
  "prefLabel": [
    {
      "@value": "4-(2-naphthyl)-1,3-thiazol-2-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Amino-4-(2-naphthyl)thiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-4-(naphthalen-2-yl)thiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-4-β-naphthylthiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Thiazolamine, 4-(2-naphthalenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(2-Naphthalenyl)-2-thiazolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(2-Naphthyl)-2-amino-1,3-thiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiazole, 2-amino-4-(2-naphthyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21331-43-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H10N2S"
      ],
      "attested_by": {
        "C13H10N2S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:673702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GWDNDNTTXIIXRS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "GWDNDNTTXIIXRS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:673702"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1nc(-c2ccc3ccccc3c2)cs1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-(2-naphthyl)-1,3-thiazol-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ],
      "attested_by": {
        "Nc1nc(-c2ccc3ccccc3c2)cs1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-(2-naphthyl)-1,3-thiazol-2-amine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-(2-naphthyl)-1,3-thiazol-2-amine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-(2-naphthyl)-1,3-thiazol-2-amine"
        ]
      },
      "attested_by": {
        "4-(2-naphthyl)-1,3-thiazol-2-amine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        226.304
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ],
      "attested_by": {
        "226.304": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        226.056469
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1nc(-c2ccc3ccccc3c2)cs1"
          ]
        }
      ],
      "attested_by": {
        "226.056469": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.383.114G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.113.127",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70350105",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/673702",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[21331-43-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1372017",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82125871",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:673702;CAS:21331-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[21331-43-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "204335b6-96af-4751-a305-b247eb73a6d8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "21331-43-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=21331-43-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "606-740-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=606-740-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

4-(2-naphthyl)-1,3-thiazol-2-amine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard