Compound Identification
SMILES
CC1=NC(C(=O)[N@@+]2(C)CCN[C@@H](CNC(=O)C(F)(F)F)C2)=C(S1)C1=CC=C(F)C=C1
InChIKey
InChIKey=WMRBDWAJHCBZHX-PWFNWSNSSA-O
Formula
C19H21F4N4O2S
Mass
445.46
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
Thiazoles
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Level 5
Thiazolecarboxylic acids and derivatives
- Level 6 Thiazolecarboxamides
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Level 5
Thiazolecarboxylic acids and derivatives
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Subclass
Thiazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Thiazolecarboxylic acids and derivatives
Direct Parent
Thiazolecarboxamides
Alternative Parents
2,4,5-trisubstituted thiazoles N-methylpiperazines Fluorobenzenes Aryl fluorides Quaternary ammonium salts Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Amine - Organonitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
External Descriptors
Not available