TL;DR: 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide (CAS 573951-08-3) is a chemical compound with molecular formula C19H21N5O2S and molecular weight 383.1416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Also Known As: 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide, 2-((4-Ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide, 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide, 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide, 2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-methoxy-5-methylphenyl) acetamide
| Molecular Formula | C19H21N5O2S |
| Molecular Weight | 383.1416 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.1416 Da |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CN=CC=C3 |
| InChIKey | WGSYIBUYAWZUEQ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide. Following Lipinski's Rule of Five, 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide is 573951-08-3.
The molecular formula of 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide is C19H21N5O2S.
The molecular weight of 2-((4-ET-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-meo-5-ME-PH)acetamide is 383.1416 g/mol.
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