Summary

IMPPAT Phytochemical identifier: IMPHY004695

Phytochemical name: 2-Acetyl-4-methylthiazole

Synonymous chemical names:
2-acetyl-4-methylthiazole

External chemical identifiers:
CID:5324797, ZINC:ZINC000025723359, SureChEMBL:SCHEMBL929092, MolPort-003-938-381

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Chemical structure information

SMILES:
Cc1csc(n1)C(=O)C

InChI:
InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3

InChIKey:
QPUIPSFYQGKAFL-UHFFFAOYSA-N

DeepSMILES:
Cccscn5)C=O)C

Functional groups:
cC(C)=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP-Likeness score: -1.595

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Chemical structure download