TL;DR: 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride (CAS 1052527-37-3) is a chemical compound with molecular formula C11H13ClFN3OS and molecular weight 289.0452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
Also Known As: 2-(5-((4-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride, 2-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine hydrochloride, 2-{5-[(4-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride
| Molecular Formula | C11H13ClFN3OS |
| Molecular Weight | 289.0452 g/mol |
| XLogP | 2.424 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0452 Da |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
| SMILES | C1=CC(=CC=C1CSC2=NN=C(O2)CCN)F.Cl |
| InChIKey | ZYRMDIZNCYRTMM-UHFFFAOYSA-N |
The XLogP value of 2.424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride. Following Lipinski's Rule of Five, 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride has 2 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 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride is 1052527-37-3.
The molecular formula of 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride is C11H13ClFN3OS.
The molecular weight of 2-{5-[(4-Fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl}ethylamine, chloride is 289.0452 g/mol.
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