TL;DR: 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid (CAS 1008009-43-5) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
Also Known As: 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid, F1925-0014, 3-(phenylthiocarbamoyl)-3,7,9-triazabicyclo[4.3.0]nona-7,10-diene-4-carboxylic Acid, 5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid, 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylicacid
| Molecular Formula | C14H14N4O2S |
| Molecular Weight | 302.08374 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.08374 Da |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
| SMILES | C1C(N(CC2=C1N=CN2)C(=S)NC3=CC=CC=C3)C(=O)O |
| InChIKey | YZJAJLZKYPOXCK-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid. Following Lipinski's Rule of Five, 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid has 3 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 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid is 1008009-43-5.
The molecular formula of 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid is C14H14N4O2S.
The molecular weight of 5-(Phenylcarbamothioyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid is 302.08374 g/mol.
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