Compound Identification
SMILES
CC1=NN2C(SC(C(N3CCN(CCO)CC3)C3=CC=C(Br)C=C3)=C2O)=N1
InChIKey
InChIKey=NGTMHCDHLPBKRC-UHFFFAOYSA-N
Formula
C18H22BrN5O2S
Mass
452.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolothiazoles
Alternative Parents
N-alkylpiperazines Bromobenzenes Aralkylamines Aryl bromides Triazoles Thiazoles Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolothiazole - Bromobenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiazole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolothiazoles. These are polycyclic compounds containing a triazole ring fused to a thiazole ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
External Descriptors
Not available