Summary

IMPPAT Phytochemical identifier: IMPHY006340

Phytochemical name: 2,4,5-Trimethylthiazole

Synonymous chemical names:
2,4,5-trimethyl-thiazole

External chemical identifiers:
CID:61653, ChEBI:78738, ZINC:ZINC000000407028, FDASRS:6393273PE0, SureChEMBL:SCHEMBL77218, MolPort-003-927-998

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Chemical structure information

SMILES:
Cc1sc(c(n1)C)C

InChI:
InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3

InChIKey:
BAMPVSWRQZNDQC-UHFFFAOYSA-N

DeepSMILES:
Ccsccn5)C))C

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 Classifier Superclass: Serine alkaloids

NP Classifier Class: Thiazole alkaloids

NP-Likeness score: -2.224

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Chemical structure download