TL;DR: (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride (CAS 1052536-51-2) is a chemical compound with molecular formula C14H17ClN4OS and molecular weight 324.08115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
Also Known As: (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride, (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride
| Molecular Formula | C14H17ClN4OS |
| Molecular Weight | 324.08115 g/mol |
| XLogP | 3.3272 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08115 Da |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
| SMILES | CCSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)N.Cl |
| InChIKey | NGPWNERVUAIASC-MERQFXBCSA-N |
The XLogP value of 3.3272 indicates that (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride. Following Lipinski's Rule of Five, (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride has 3 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 (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride is 1052536-51-2.
The molecular formula of (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride is C14H17ClN4OS.
The molecular weight of (S)-1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride is 324.08115 g/mol.
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