TL;DR: 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride (CAS 1052527-19-1) 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-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
Also Known As: 2-(5-((2-fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride, 2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine hydrochloride
| 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 | 235.0 |
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(O2)CCN)F.Cl |
| InChIKey | BJEJITFRSRZKTN-UHFFFAOYSA-N |
The XLogP value of 2.424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride. Following Lipinski's Rule of Five, 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride 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-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride is 1052527-19-1.
The molecular formula of 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride is C11H13ClFN3OS.
The molecular weight of 2-(5-((2-Fluorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride is 289.0452 g/mol.
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