Compound Identification
SMILES
CN1CCN(CCOC(=O)CCC2=CNC(=S)N2)CC1
InChIKey
InChIKey=KPAPYRWQMCAPAB-UHFFFAOYSA-N
Formula
C13H22N4O2S
Mass
298.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
- Level 5 Substituted imidazoles
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Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Imidazolyl carboxylic acids and derivatives
Alternative Parents
N-methylpiperazines Fatty acid esters Imidazolethiones Heteroaromatic compounds Trialkylamines Thioureas Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Imidazolyl carboxylic acid derivative - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Imidazole-2-thione - Piperazine - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Thiourea - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
External Descriptors
Not available