Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=CSC(Br)=N1
InChIKey
InChIKey=XTJLRYIKLFKCKL-UHFFFAOYSA-N
Formula
C13H18BrN3O3S
Mass
376.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
- Subclass Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Piperazine carboxylic acids and derivatives
Direct Parent
Piperazine carboxylic acids
Alternative Parents
Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
External Descriptors
Not available