Summary

IMPPAT Phytochemical identifier: IMPHY004651

Phytochemical name: 2-Acetylthiazole

Synonymous chemical names:
2-acetylthiazole

External chemical identifiers:
CID:520108, ChEMBL:CHEMBL1589555, ChEBI:173474, ZINC:ZINC000000164484, FDASRS:16IGS5268I, SureChEMBL:SCHEMBL247631, MolPort-000-145-926

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Chemical structure information

SMILES:
CC(=O)c1nccs1

InChI:
InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3

InChIKey:
MOMFXATYAINJML-UHFFFAOYSA-N

DeepSMILES:
CC=O)cnccs5

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

NP-Likeness score: -1.141

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Chemical structure download