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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:06 UTC
Update Date2025-03-25 00:47:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160420
Frequency0.5
Structure
Chemical FormulaC7H6N2OS
Molecular Mass166.0201
SMILESNc1ccc2[nH]c(=O)sc2c1
InChI KeyCLYCLRFHPKKUBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • thiazoles
    • Substituents
  • 1,3-benzothiazole
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • thiazole
  • amine
  • organooxygen compound
  • azole