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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:38 UTC
Update Date2025-03-21 18:35:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104556
Frequency25.9
Structure
Chemical FormulaC9H8N2S
Molecular Mass176.0408
SMILESNc1nc(-c2ccccc2)cs1
InChI KeyPYSJLPAOBIGQPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,4-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 2,4-disubstituted 1,3-thiazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine