TL;DR: (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride (CAS 1052528-02-5) is a chemical compound with molecular formula C14H19ClN4O2S and molecular weight 342.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
Also Known As: (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride, 2-[[5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide hydrochloride
| Molecular Formula | C14H19ClN4O2S |
| Molecular Weight | 342.09174 g/mol |
| XLogP | 1.9142 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.09174 Da |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
| SMILES | CN(C)C(=O)CSC1=NN=C(O1)[C@H](CC2=CC=CC=C2)N.Cl |
| InChIKey | IISGOGYGBWFMAR-MERQFXBCSA-N |
The XLogP value of 1.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride. Following Lipinski's Rule of Five, (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide 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 (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride is 1052528-02-5.
The molecular formula of (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride is C14H19ClN4O2S.
The molecular weight of (S)-2-((5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-N,N-dimethylacetamide hydrochloride is 342.09174 g/mol.
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