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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:04 UTC
Update Date2025-03-21 18:32:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00090940
Frequency30.9
Structure
Chemical FormulaC12H17N4S2+
Molecular Mass281.0889
SMILESCSCc1sc[n+](Cc2cnc(C)nc2N)c1C
InChI KeyMCPOGCOBEGTEDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • sulfenyl compounds
    • Substituents
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • organosulfur compound
  • 4,5-disubstituted 1,3-thiazole
  • pyrimidine
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • amine