TL;DR: (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one (CAS 1164458-87-0) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one
Also Known As: (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one, (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4-one, 2-(2,6-dimethyl-4-morpholinyl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one, Cambridge id 7357151
| Molecular Formula | C17H20N2O2S |
| Molecular Weight | 316.12454 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.12454 Da |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
| SMILES | CC1CN(CC(O1)C)C2=NC(=O)/C(=C(\C)/C3=CC=CC=C3)/S2 |
| InChIKey | NWIBIQZUFDWWQW-SQFISAMPSA-N |
The XLogP value of 3.6 indicates that (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one 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 (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one is 1164458-87-0.
The molecular formula of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one is C17H20N2O2S.
The molecular weight of (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one is 316.12454 g/mol.
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