TL;DR: Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate (CAS 111042-91-2) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
Also Known As: methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate, Thieno[2,3-c]pyridine-2-carboxylic acid, 3-amino-, methyl ester (9CI), 3-amino-2-carbomethoxythieno[2,3-c]pyridine, 2-carbomethoxy-3-aminothieno[2,3-c]pyridine, 10D-065
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.03065 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | COC(=O)C1=C(C2=C(S1)C=NC=C2)N |
| InChIKey | VAAFWMASRDVMQF-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate is 111042-91-2.
The molecular formula of Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate is C9H8N2O2S.
The molecular weight of Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate is 208.03065 g/mol.
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