TL;DR: (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 1009437-97-1) is a chemical compound with molecular formula C22H19N3O2S2 and molecular weight 421.09186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(3-ETHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-3-METHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-5-((3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
| Molecular Formula | C22H19N3O2S2 |
| Molecular Weight | 421.09186 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.09186 Da |
| Heavy Atoms | 29 |
| Complexity | 650.0 |
| SMILES | CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4 |
| InChIKey | YLLGLRCVMSFSQO-UYRXBGFRSA-N |
The XLogP value of 4.9 indicates that (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 1009437-97-1.
The molecular formula of (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is C22H19N3O2S2.
The molecular weight of (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 421.09186 g/mol.
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