TL;DR: (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one (CAS 1009442-11-8) is a chemical compound with molecular formula C26H26N4O3S3 and molecular weight 538.1167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-methyl-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-methyl-5-[[3-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-methyl-5-((3-(3-((4-methylpiperidin-1-yl)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C26H26N4O3S3 |
| Molecular Weight | 538.1167 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.1167 Da |
| Heavy Atoms | 36 |
| Complexity | 967.0 |
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C\4/C(=O)N(C(=S)S4)C)C5=CC=CC=C5 |
| InChIKey | LMSBUKFBCUWNLK-KQWNVCNZSA-N |
The XLogP value of 5.0 indicates that (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one is 1009442-11-8.
The molecular formula of (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one is C26H26N4O3S3.
The molecular weight of (5Z)-3-methyl-5-[(3-{3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one is 538.1167 g/mol.
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