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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:59 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178506
Frequency0.5
Structure
Chemical FormulaC11H12N2S
Molecular Mass204.0721
SMILESc1ccc2sc(N3CCCC3)nc2c1
InChI KeyIJFFUAQBZZXGLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-amino-1,3-thiazoles
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidines
    • Substituents
  • 1,3-benzothiazole
  • azacycle
  • heteroaromatic compound
  • 1,3-thiazol-2-amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • 1,3-thiazolamine
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • pyrrolidine
  • thiazole
  • azole