Summary

IMPPAT Phytochemical identifier: IMPHY015955

Phytochemical name: Thiazole

Synonymous chemical names:
thiazole

External chemical identifiers:
CID:9256, ChEMBL:CHEMBL15605, ChEBI:43732, ZINC:ZINC000001484626, FDASRS:320RCW8PEF, SureChEMBL:SCHEMBL6291, MolPort-000-158-628

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Chemical structure information

SMILES:
c1nccs1

InChI:
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

InChIKey:
FZWLAAWBMGSTSO-UHFFFAOYSA-N

DeepSMILES:
cnccs5

Functional groups:
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: -1.786

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Chemical structure download