TL;DR: (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one (CAS 1008879-43-3) is a chemical compound with molecular formula C29H32N4OS2 and molecular weight 516.2018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
Also Known As: (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one, (Z)-5-((3-(4-(butylthio)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methylpiperidin-1-yl)thiazol-4(5H)-one, (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
| Molecular Formula | C29H32N4OS2 |
| Molecular Weight | 516.2018 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.2018 Da |
| Heavy Atoms | 36 |
| Complexity | 795.0 |
| SMILES | CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C)C5=CC=CC=C5 |
| InChIKey | NSDVXTDBEKNQMJ-XHPQRKPJSA-N |
The XLogP value of 7.1 indicates that (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-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-(butylsulfanyl)phenyl]-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-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is 1008879-43-3.
The molecular formula of (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is C29H32N4OS2.
The molecular weight of (5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one is 516.2018 g/mol.
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