TL;DR: 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride (CAS 145316-21-8) is a chemical compound with molecular formula C13H14ClN3OS and molecular weight 295.0546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-imino-[1,3]thiazino[3,2-a]benzimidazol-4-yl)propan-2-ol;hydrochloride
Also Known As: 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride, 2H-(1,3)Thiazino(3,2-a)benzimidazole-4-methanol, alpha,alpha-dimethyl-2-imino-, monohydrochloride, 2-(2-imino-[1,3]thiazino[3,2-a]benzimidazol-4-yl)propan-2-ol hydrochloride, 2-(2-Imino-2H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-yl)propan-2-ol--hydrogen chloride (1/1), 2-(2-Imino-2H-[1,3]thiazino[3,2-a]benzimidazol-4-yl)propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C13H14ClN3OS |
| Molecular Weight | 295.0546 g/mol |
| XLogP | 2.67767 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0546 Da |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
| SMILES | CC(C)(C1=CC(=N)SC2=NC3=CC=CC=C3N12)O.Cl |
| InChIKey | NIBCBRKYSSLNDI-UHFFFAOYSA-N |
The XLogP value of 2.67767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride. Following Lipinski's Rule of Five, 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride 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 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride is 145316-21-8.
The molecular formula of 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride is C13H14ClN3OS.
The molecular weight of 2-Imino-4-(1-hydroxy-1-methylethyl)-1,3-thiazono(2,3-b)benzimidazole hydrochloride is 295.0546 g/mol.
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