Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:50 UTC
Update Date2025-03-21 18:29:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00078603
Frequency37.2
Structure
Chemical FormulaC8H10N2S
Molecular Mass166.0565
SMILESc1cncc(C2NCCS2)c1
InChI KeySMYGUEYUDFIZCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridines and derivatives
Direct Parent pyridines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • thiazolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • secondary amine
  • pyridine
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • thiazolidine