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CHEBI:102167 - N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine

ChEBI IDCHEBI:102167
ChEBI NameN-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine
Stars
ASCII NameN-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine
DefinitionA member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group.
Last Modified1 April 2016
DownloadsMolfile
FormulaC21H23N5S
Net Charge0
Average Mass377.517
Monoisotopic Mass377.16742
SMILESCCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
InChIInChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
InChIKeySNFYYXUGUBUECJ-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)
N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167) is a aromatic amine (CHEBI:33860)
N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167) is a benzothiazoles (CHEBI:37947)
N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167) is a secondary amino compound (CHEBI:50995)
N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-talarozole (CHEBI:102030) is a N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167)
(S)-talarozole (CHEBI:102131) is a N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine (CHEBI:102167)
IUPAC Name 
N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine