Summary

IMPPAT Phytochemical identifier: IMPHY017573

Phytochemical name: 4,5-Dimethylthiazole

Synonymous chemical names:
thiazole,4,5,-dimethyl

External chemical identifiers:
CID:62510, ZINC:ZINC000000407027, FDASRS:U3RP5I088G, SureChEMBL:SCHEMBL104484, MolPort-000-154-947

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Chemical structure information

SMILES:
Cc1scnc1C

InChI:
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3

InChIKey:
UWSONZCNXUSTKW-UHFFFAOYSA-N

DeepSMILES:
Ccscnc5C

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, Amino acids and Peptides

NP-Likeness score: -1.663

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Chemical structure download