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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Thiadiazoles
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Level 5
Aminothiadiazoles
- Level 6 2-amino-1,3,4-thiadiazoles
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Level 5
Aminothiadiazoles
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Subclass
Thiadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
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
Unsaturated fatty acids Hydropyrimidines Dicarboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary amines Enamines Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
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