TL;DR: N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide (CAS 1323831-52-2) is a chemical compound with molecular formula C14H21N5OS2 and molecular weight 339.11874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-cyanocyclopentyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Also Known As: N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide, N-(1-cyanocyclopentyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
| Molecular Formula | C14H21N5OS2 |
| Molecular Weight | 339.11874 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.11874 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | CC(C)CNC1=NN=C(S1)SCC(=O)NC2(CCCC2)C#N |
| InChIKey | NOEDVNHDSQJBBB-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide has 2 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 N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is 1323831-52-2.
The molecular formula of N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is C14H21N5OS2.
The molecular weight of N-(1-cyanocyclopentyl)-2-({5-[(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide is 339.11874 g/mol.
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