Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.NC1=NN=C(CCCCCC2NCC=C(N2)C2=CC=CC=C2)S1

InChIKey

InChIKey=YAAXDRISDSPJJV-WLHGVMLRSA-N

Formula

C21H27N5O4S

Mass

445.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Thiadiazoles

Intermediate Tree Nodes

Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles

Direct Parent

2-amino-5-substituted-1,3,4-thiadiazoles

Alternative Parents

Molecular Framework

Not available

Substituents

2-amino-5-substituted-1,3,4-thiadiazole - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Enamine - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position.

External Descriptors

Not available

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