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

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ChEBI Name N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine
ChEBI ID CHEBI:102167
ChEBI ASCII Name N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H23N5S
Net Charge 0
Average Mass 377.508
Monoisotopic Mass 377.16742
InChI InChI=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)
InChIKey SNFYYXUGUBUECJ-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 (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
Last Modified
01 April 2016
General Comment
2016-04-01 This is the entry for the compound with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-talarozole and (S)-talarozole] and for the racemate.