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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:00 UTC
Update Date2025-03-21 18:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036152
Frequency98.1
Structure
Chemical FormulaC10H12N5OS+
Molecular Mass250.0757
SMILESCc1ncc(C[n+]2csc(C(N)=O)c2)c(N)n1
InChI KeyRKDIHIXABQNTSB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent thiazolecarboxamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • primary carboxylic acid amides
  • pyrimidines and pyrimidine derivatives
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazolecarboxamide
  • amine
  • organooxygen compound