EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228572 - 2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole

ChEBI IDCHEBI:228572
ChEBI Name2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2S2
Net Charge0
Average Mass300.452
Monoisotopic Mass300.07549
SMILES[H][C@]1(c2nc3ccccc3s2)CCN(Cc2cccs2)C1
InChIInChI=1S/C16H16N2S2/c1-2-6-15-14(5-1)17-16(20-15)12-7-8-18(10-12)11-13-4-3-9-19-13/h1-6,9,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyZKSBUMPVSRYXSK-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzothiazole (CHEBI:228572) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzothiazole
Manual XrefsDatabases
29849989ChemSpider