TL;DR: 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (CAS 1544401-87-7) is a chemical compound with molecular formula C11H8FNOS2 and molecular weight 253.00313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
Also Known As: 5-[(4-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one, 5-[(Z)-(4-fluorophenyl)methylidene]-2-(methylsulfanyl)-1,3-thiazol-4-one
| Molecular Formula | C11H8FNOS2 |
| Molecular Weight | 253.00313 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.00313 Da |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
| SMILES | CSC1=NC(=O)C(=CC2=CC=C(C=C2)F)S1 |
| InChIKey | WYSGACXKJXBFSB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one. Following Lipinski's Rule of Five, 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is 1544401-87-7.
The molecular formula of 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is C11H8FNOS2.
The molecular weight of 5-[(4-Fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is 253.00313 g/mol.
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