TL;DR: ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate (CAS 1164506-81-3) is a chemical compound with molecular formula C15H20N4O2S and molecular weight 320.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(dimethylamino)-3-(dimethylaminomethylideneamino)thieno[2,3-b]pyridine-2-carboxylate
Also Known As: ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate, ethyl 4-(dimethylamino)-3-(dimethylaminomethylideneamino)thieno[2,3-b]pyridine-2-carboxylate, 10M-077, AH-262/36083010, ethyl 4-(dimethylamino)-3-[(E)-[(dimethylamino)methylidene]amino]thieno[2,3-b]pyridine-2-carboxylate
| Molecular Formula | C15H20N4O2S |
| Molecular Weight | 320.1307 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1307 Da |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
| SMILES | CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CN(C)C |
| InChIKey | FVGBVZPZELYCND-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate is 1164506-81-3.
The molecular formula of ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate is C15H20N4O2S.
The molecular weight of ethyl 4-(dimethylamino)-3-{[(dimethylamino)methylene]amino}thieno[2,3-b]pyridine-2-carboxylate is 320.1307 g/mol.
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