TL;DR: 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride (CAS 1052522-39-0) is a chemical compound with molecular formula C14H19Cl2N3OS and molecular weight 347.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentan-1-amine;hydrochloride
Also Known As: 5-(5-((3-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride, 5-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentan-1-amine hydrochloride, REGID_for_CID_6603411
| Molecular Formula | C14H19Cl2N3OS |
| Molecular Weight | 347.0626 g/mol |
| XLogP | 4.1086 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.0626 Da |
| Heavy Atoms | 21 |
| Complexity | 273.0 |
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NN=C(O2)CCCCCN.Cl |
| InChIKey | RPFLTORNEPUQRK-UHFFFAOYSA-N |
The XLogP value of 4.1086 indicates that 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride. Following Lipinski's Rule of Five, 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride has 2 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 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride is 1052522-39-0.
The molecular formula of 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride is C14H19Cl2N3OS.
The molecular weight of 5-(5-((3-Chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pentan-1-amine hydrochloride is 347.0626 g/mol.
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