Compound Identification
SMILES
CN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(Br)=CC(C)=C1O
InChIKey
InChIKey=AAZKRMIWHXUKLP-UHFFFAOYSA-N
Formula
C17H18BrN3O2S
Mass
408.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Aminothiophenes
- Level 5 2-aminothiophenes
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Subclass
Aminothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Aminothiophenes
Intermediate Tree Nodes
2-aminothiophenes
Direct Parent
3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents
Ortho cresols P-bromophenols Aralkylamines Bromobenzenes Toluenes Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - 4-halophenol - O-cresol - 4-bromophenol - Bromobenzene - Halobenzene - Aralkylamine - Toluene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Amine - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors
Not available