EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113557 - 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,3-benzothiazole

ChEBI IDCHEBI:113557
ChEBI Name2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,3-benzothiazole
Stars
DownloadsMolfile
FormulaC19H19N3O2S
Net Charge0
Average Mass353.447
Monoisotopic Mass353.11980
SMILESc1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-2-4-18-15(3-1)20-19(25-18)22-9-7-21(8-10-22)12-14-5-6-16-17(11-14)24-13-23-16/h1-6,11H,7-10,12-13H2
InChIKeyBYHKGNWKJMGHGE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1,3-benzothiazole (CHEBI:113557) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-24986LINCS