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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:57 UTC
Update Date2025-03-21 18:05:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057282
Frequency55.4
Structure
Chemical FormulaC15H21N3O2S
Molecular Mass307.1354
SMILESOCCOCCN1CCN(c2nc3ccccc3s2)CC1
InChI KeyCXRIHERPQIZELH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-amino-1,3-thiazoles
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • benzothiazoles
  • dialkyl ethers
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpiperazines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • ether
  • dialkyl ether
  • 1,3-thiazol-2-amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • azole
  • 1,3-benzothiazole
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic oxygen compound
  • 1,3-thiazolamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • thiazole
  • amine
  • n-arylpiperazine
  • organooxygen compound