Compound Identification
SMILES
NC1=NC(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)=C(C2=NC3=CC=CC=C3S2)C(Cl)=N1
InChIKey
InChIKey=NMNWHBQHDKPDIW-HLXLPKMUSA-N
Formula
C17H18ClN5O3S
Mass
407.87
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
Secondary alkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Benzenoids Imidolactams Cyclopentanols Thiazoles Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Cyclopentanol - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Thiazole - Azole - Cyclic alcohol - Secondary alcohol - Azacycle - Secondary amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Primary amine - Alcohol - Amine - 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