Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:11 UTC
Update Date2025-03-25 00:55:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213364
Frequency0.5
Structure
Chemical FormulaC11H14N2OS
Molecular Mass222.0827
SMILESCN(C)CCOc1nc2ccccc2s1
InChI KeyDJCKZOJTOFOFLT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • thiazoles
  • trialkylamines
  • Substituents
  • 1,3-benzothiazole
  • ether
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • thiazole
  • amine
  • tertiary amine
  • organooxygen compound
  • azole