TL;DR: (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one (CAS 1009436-61-6) is a chemical compound with molecular formula C31H28N4O2S and molecular weight 520.1933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Also Known As: (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one, (5Z)-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one, (Z)-5-((3-(3-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(piperidin-1-yl)thiazol-4(5H)-one, 5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-(1-piperidyl)-1,3-thiazol-4-one
| Molecular Formula | C31H28N4O2S |
| Molecular Weight | 520.1933 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1933 Da |
| Heavy Atoms | 38 |
| Complexity | 860.0 |
| SMILES | C1CCN(CC1)C2=NC(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)/S2 |
| InChIKey | KBPHCWHNFVWUFS-RRAHZORUSA-N |
The XLogP value of 6.4 indicates that (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one is 1009436-61-6.
The molecular formula of (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one is C31H28N4O2S.
The molecular weight of (5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one is 520.1933 g/mol.
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