TL;DR: 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 130506-78-4) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
Also Known As: BAS 03320678, AB00113584-01, 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, 3-amino-5,6,7,8,9-pentahydrocyclohepta[2,1-e]thiopheno[2,3-b]pyridine-2-carbox amide, Cambridge id 6638434
| Molecular Formula | C13H15N3OS |
| Molecular Weight | 261.0936 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0936 Da |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
| SMILES | C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)N |
| InChIKey | RBLRFRHHEGBJAJ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide. Following Lipinski's Rule of Five, 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide is 130506-78-4.
The molecular formula of 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide is C13H15N3OS.
The molecular weight of 3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide is 261.0936 g/mol.
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