TL;DR: 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one (CAS 1009435-28-2) is a chemical compound with molecular formula C27H28N4OS2 and molecular weight 488.17044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
Also Known As: 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one, (5Z)-5-({3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one, (5Z)-5-({3-[4-(ETHYLSULFANYL)PHENYL]-1-PHENYL-1H-PYRAZOL-4-YL}METHYLIDENE)-2-(4-METHYLPIPERIDIN-1-YL)-4,5-DIHYDRO-1,3-THIAZOL-4-ONE, (5Z)-5-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one, (Z)-5-((3-(4-(ethylthio)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methylpiperidin-1-yl)thiazol-4(5H)-one
| Molecular Formula | C27H28N4OS2 |
| Molecular Weight | 488.17044 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.17044 Da |
| Heavy Atoms | 34 |
| Complexity | 765.0 |
| SMILES | CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5 |
| InChIKey | MYGDEKYXSUPYEK-ULJHMMPZSA-N |
The XLogP value of 6.2 indicates that 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one. Following Lipinski's Rule of Five, 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one is 1009435-28-2.
The molecular formula of 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one is C27H28N4OS2.
The molecular weight of 5-((Z)-1-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidino)-1,3-thiazol-4-one is 488.17044 g/mol.
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