C19H16FNO2S2 — CID 68893528
(5Z)-5-[[4-[(3-fluoro-4-methylphenyl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (PubChem CID 68893528) has the molecular formula C19H16FNO2S2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (5Z)-5-[[4-[(3-fluoro-4-methylphenyl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one.
| Compound Name | (5Z)-5-[[4-[(3-fluoro-4-methylphenyl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one |
|---|---|
| PubChem CID | 68893528 |
| Molecular Formula | C19H16FNO2S2 |
| Molecular Weight | 373.47 g/mol |
| Exact Mass | 373.06 |
| IUPAC Name | (5Z)-5-[[4-[(3-fluoro-4-methylphenyl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one |
| SMILES | CSC1=NC(=O)/C(=C/c2ccc(OCc3ccc(C)c(F)c3)cc2)S1 |
| InChI | InChI=1S/C19H16FNO2S2/c1-12-3-4-14(9-16(12)20)11-23-15-7-5-13(6-8-15)10-17-18(22)21-19(24-2)25-17/h3-10H,11H2,1-2H3/b17-10- |
| InChIKey | BXJHQTFWXUQGMG-YVLHZVERSA-N |
| XLogP | 5.05 |
| TPSA | 38.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 25 |
| Complexity | — |
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 373.47 |
| LogP ≤ 5 | 5.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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