Structure Information
Structure

Compound Identification

SMILES

COCCN(CCC(=O)NC(C)C)C1=NC(CC2=CC=C(F)C=C2)=NS1

InChIKey

InChIKey=AONNAGHJSWVNOW-UHFFFAOYSA-N

Formula

C18H25FN4O2S

Mass

380.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Dialkylarylamines Fluorobenzenes Aryl fluorides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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