TL;DR: 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CAS 1272519-91-1) is a chemical compound with molecular formula C17H13NO2S and molecular weight 295.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
Also Known As: (5Z)-5-[(4-Methoxyphenyl)methylene]-2-phenyl-4(5H)-thiazolone, 5-[(4-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
| Molecular Formula | C17H13NO2S |
| Molecular Weight | 295.0667 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0667 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | COC1=CC=C(C=C1)C=C2C(=O)N=C(S2)C3=CC=CC=C3 |
| InChIKey | XJDDNBQXWPCSCW-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one. Following Lipinski's Rule of Five, 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-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 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is 1272519-91-1.
The molecular formula of 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is C17H13NO2S.
The molecular weight of 5-[(4-Methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is 295.0667 g/mol.
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