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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)N |
|---|---|
| IUPAC Name | 2-amino-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| InChIKey | JRKAOXFJRBMVPB-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O2S/c1-9-4-5-11-12(7-9)20-14(16)13(11)15(18)17-8-10-3-2-6-19-10/h2-3,6,9H,4-5,7-8,16H2,1H3,(H,17,18) |
| Peso molecular | 290.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Aminothiophenes |
| Intermediate Tree Nodes | 2-aminothiophenes |
| Direct Parent | 3,4,5-trisubstituted-2-aminothiophenes |
| Alternative Parents | Thiophene carboxamides Primary aromatic amines Vinylogous amides Heteroaromatic compounds Furans Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Primary aromatic amine - Furan - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 290.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 290.109 Da |
| Monoisotopic Mass | 290.109 Da |
| Topological Polar Surface Area | 96.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
