TL;DR: (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CAS 1173674-94-6) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8aR)-7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Also Known As: (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione, (R)-7-phenethyldihydro-1H-thiazolo[3,4-a]pyrazine-5,8(3H,8aH)-dione, (8aR)-7-phenethyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
| Molecular Formula | C14H16N2O2S |
| Molecular Weight | 276.09326 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09326 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | C1[C@H]2C(=O)N(CC(=O)N2CS1)CCC3=CC=CC=C3 |
| InChIKey | SPEYDJQGWWQVBV-LBPRGKRZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione. Following Lipinski's Rule of Five, (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is 1173674-94-6.
The molecular formula of (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is C14H16N2O2S.
The molecular weight of (8aR)-7-(2-phenylethyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is 276.09326 g/mol.
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