2-amino-5-methylthiazole
fo-17a631f044b58796
Identity
- Type
- Neutral molecule
- CAS
- 7305-71-7
- EC
- 423-800-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
8- (5-Methylthiazol-2-yl)amine
- 2-Thiazolamine, 5-methyl-
- 5-Methyl-1,3-thiazol-2-amine
- 5-Methyl-1,3-thiazol-2-ylamine
- 5-Methyl-2-aminothiazole
- 5-Methyl-2-thiazolamine
- 5-Methylthiazol-2-amine
- Thiazole, 2-amino-5-methyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GUABFMPMKJGSBQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6) |
| IUPAC name chemrof:IUPAC_name | 2-amino-5-methylthiazole |
| Molecular formula chemrof:molecular_formula | C4H6N2S |
| Molecular mass chemrof:molecular_mass | 114.173 |
| Monoisotopic mass chemrof:monoisotopic_mass | 114.025169 |
| SMILES string chemrof:smiles_string | Cc1cnc(N)s1 |
Known URLs
10Where 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=7305-71-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.235 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.119.590 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10223329 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=523150 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL502447 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7RAB78AF2P | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J382.938C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/351770 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27268750 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 87d6a424-96b4-4666-aaab-3213f53abed2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4c86df00-bb7c-41bd-ad41-f8408cbd5261 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 60476b78-e029-412d-a3dd-9962ae79300a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 60e8d634-6b55-412c-a51f-fae95a3bed3f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b7d124c6-56da-4c2f-8065-a5bf1cf271c3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a5c42d19-cd1f-4748-9db3-2b8f2e06ea97 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5f35a074-1195-40cf-8693-f0212b54dadb | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a18f35c0-8cbf-4f04-8565-48ff88c95223 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ae5287b6-bc55-4f7c-b98b-78c1c4932194 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 32815705-4b95-4b5e-b264-72356aacf507 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 76574755-f6cf-4bd4-99cf-d42b131d3f5b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a5f5f118-05cd-46eb-966a-0cabb4961a47 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c4eeebe0-f837-4828-b693-82ab355264c0 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-17a631f044b58796",
"prefLabel": [
{
"@value": "2-amino-5-methylthiazole",
"@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": "(5-Methylthiazol-2-yl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Thiazolamine, 5-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Methyl-1,3-thiazol-2-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Methyl-1,3-thiazol-2-ylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Methyl-2-aminothiazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Methyl-2-thiazolamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Methylthiazol-2-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Thiazole, 2-amino-5-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7305-71-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H6N2S"
],
"attested_by": {
"C4H6N2S": [
"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:351770"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GUABFMPMKJGSBQ-UHFFFAOYSA-N"
],
"attested_by": {
"GUABFMPMKJGSBQ-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:351770"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1cnc(N)s1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-amino-5-methylthiazole"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
],
"attested_by": {
"Cc1cnc(N)s1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-amino-5-methylthiazole"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
],
"attested_by": {
"InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-amino-5-methylthiazole"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-amino-5-methylthiazole"
]
},
"attested_by": {
"2-amino-5-methylthiazole": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
114.173
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CN=C(S1)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
],
"attested_by": {
"114.173": [
"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": [
114.025169
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CN=C(S1)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cnc(N)s1"
]
}
],
"attested_by": {
"114.025169": [
"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=J382.938C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.102.235",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.119.590",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7305-71-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID10223329",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=523150",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7RAB78AF2P",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/351770",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[7305-71-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL502447",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27268750",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:351770;CAS:7305-71-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7305-71-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "32815705-4b95-4b5e-b264-72356aacf507",
"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": [
"7305-71-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7305-71-7"
}
],
"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": [
"423-800-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=423-800-5"
],
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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