TL;DR: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CAS 714928-26-4) is a chemical compound with molecular formula C16H20N6O2S and molecular weight 360.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
Also Known As: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-(pyridin-2-yl)piperazin-1-yl)butanamide, N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanamide
| Molecular Formula | C16H20N6O2S |
| Molecular Weight | 360.13684 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.13684 Da |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
| SMILES | CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=N3 |
| InChIKey | XQGYJFKGTWVKRT-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide. Following Lipinski's Rule of Five, N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has 1 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-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is 714928-26-4.
The molecular formula of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is C16H20N6O2S.
The molecular weight of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is 360.13684 g/mol.
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