Summary

IMPPAT Phytochemical identifier: IMPHY015382

Phytochemical name: 4-Methyl-5-vinylthiazole

Synonymous chemical names:
4-methyl-5-vinylthiazole

External chemical identifiers:
CID:15654, ZINC:ZINC000000407074, FDASRS:1G77935P78, SureChEMBL:SCHEMBL347422, MolPort-001-793-007

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Chemical structure information

SMILES:
Cc1ncsc1C=C

InChI:
InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3

InChIKey:
QUAMMXIRDIIGDJ-UHFFFAOYSA-N

DeepSMILES:
Ccncsc5C=C

Functional groups:
cC=C, cnc, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cscn1

Scaffold Graph/Node level:
C1CSCN1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Thiazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.149

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Chemical structure download