TL;DR: N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 804486-37-1) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-cyclopropyl-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-cyclopropyl-2-(4-methyl-5-phenyl(1,2,4-triazol-3-ylthio))acetamide
| Molecular Formula | C14H16N4OS |
| Molecular Weight | 288.1045 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.1045 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=CC=C3 |
| InChIKey | MWOJZHNBOSWKPW-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-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-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 804486-37-1.
The molecular formula of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C14H16N4OS.
The molecular weight of N-cyclopropyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 288.1045 g/mol.
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