Compound Identification
SMILES
CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=C(O)C=CC(I)=C1
InChIKey
InChIKey=DQWDDBJOPSWDKP-UHFFFAOYSA-N
Formula
C17H17IN2O2S
Mass
440.3
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
P-iodophenols 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Iodobenzenes Aryl iodides Vinylogous amides Heteroaromatic compounds Lactams Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organoiodides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - 4-halophenol - 4-iodophenol - Halobenzene - Iodobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl iodide - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Secondary amine - Organoiodide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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