TL;DR: (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one (CAS 1008881-35-3) is a chemical compound with molecular formula C29H31ClN4O2S and molecular weight 534.1856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
Also Known As: (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one, (Z)-5-((3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methylpiperidin-1-yl)thiazol-4(5H)-one, (5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
| Molecular Formula | C29H31ClN4O2S |
| Molecular Weight | 534.1856 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.1856 Da |
| Heavy Atoms | 37 |
| Complexity | 840.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5)Cl |
| InChIKey | ZDOBWZJPTMWKKE-ITYLOYPMSA-N |
The XLogP value of 7.2 indicates that (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-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-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-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-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is 1008881-35-3.
The molecular formula of (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is C29H31ClN4O2S.
The molecular weight of (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is 534.1856 g/mol.
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