TL;DR: Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester (CAS 107811-12-1) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.06776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Also Known As: Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester, N-(1,3,4-Thiadiazol-2-yl)succinamic acid propyl ester, Butanoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, propyl ester, propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate, Propyl 4-oxo-4-[(1,3,4-thiadiazol-2-yl)amino]butanoate
| Molecular Formula | C9H13N3O3S |
| Molecular Weight | 243.06776 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.06776 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | CCCOC(=O)CCC(=O)NC1=NN=CS1 |
| InChIKey | NBAZXRJGYUBEIE-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester. Following Lipinski's Rule of Five, Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl 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-(1,3,4-thiadiazol-2-yl)-, propyl ester is 107811-12-1.
The molecular formula of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester is C9H13N3O3S.
The molecular weight of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, propyl ester is 243.06776 g/mol.
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