TL;DR: N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide (CAS 1004408-15-4) is a chemical compound with molecular formula C12H16N4OS and molecular weight 264.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-cyanocyclopentyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
Also Known As: N-(1-cyanocyclopentyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide, N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C12H16N4OS |
| Molecular Weight | 264.1045 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1045 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CN1C=CN=C1SCC(=O)NC2(CCCC2)C#N |
| InChIKey | BXXAVTVGRAYBNL-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide has 1 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 N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is 1004408-15-4.
The molecular formula of N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is C12H16N4OS.
The molecular weight of N-(1-cyanocyclopentyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is 264.1045 g/mol.
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