Compound Identification
SMILES
FC(F)(F)C1=NN(C(=O)\C1=C/NCCN1CCNCC1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=KEFUBTQBLJHIQR-QXMHVHEDSA-N
Formula
C18H19F3N6OS
Mass
424.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
N-alkylpiperazines Benzenoids Pyrazolones Vinylogous amides Heteroaromatic compounds Thiazoles Trialkylamines Amino acids and derivatives Allylamines Enamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrazolinone - Benzenoid - Vinylogous amide - Thiazole - Heteroaromatic compound - Pyrazoline - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Allylamine - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic oxide - Organohalogen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available