Compound Identification
SMILES
CNC1=C(I)C=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=NHIMJMRYEQDCKQ-UHFFFAOYSA-N
Formula
C14H11IN2OS
Mass
382.22
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
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - 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