Compound Identification
SMILES
Cl.CCN(CC)CCN(C(=O)C1=CC=CC=C1OC)C1=NC2=C(S1)C=C(F)C=C2
InChIKey
InChIKey=ODFZAPLVHPHXEE-UHFFFAOYSA-N
Formula
C21H25ClFN3O2S
Mass
437.96
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
Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Aryl fluorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - 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