TL;DR: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester (CAS 107811-21-2) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Also Known As: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester, N-(5-Isopropyl-1,3,4-thiadiazol-2-yl)succinamic acid phenyl ester, Butanoic acid, 4-((5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)amino)-4-oxo-, phenyl ester, phenyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate, Phenyl 4-oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoate
| Molecular Formula | C15H17N3O3S |
| Molecular Weight | 319.09906 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.09906 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OC2=CC=CC=C2 |
| InChIKey | CVJYXXJUXMJMNU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester. Following Lipinski's Rule of Five, Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester 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 Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester is 107811-21-2.
The molecular formula of Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester is C15H17N3O3S.
The molecular weight of Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, phenyl ester is 319.09906 g/mol.
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