TL;DR: 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid (CAS 138872-44-3) is a chemical compound with molecular formula C5H7N3O3S and molecular weight 189.02081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxyethylamino)-1,2,5-thiadiazole-3-carboxylic acid
Also Known As: 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid, 3898AD, BAS 00996300, 4-[(2-hydroxyethyl)amino]-1,2,5-thiadiazole-3-carboxylic acid, 4-(2-hydroxyethylamino)-1,2,5-thiadiazole-3-carboxylic acid
| Molecular Formula | C5H7N3O3S |
| Molecular Weight | 189.02081 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.02081 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| SMILES | C(CO)NC1=NSN=C1C(=O)O |
| InChIKey | UJRZQEJWENVVNG-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid is 138872-44-3.
The molecular formula of 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid is C5H7N3O3S.
The molecular weight of 4-(2-Hydroxy-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid is 189.02081 g/mol.
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