TL;DR: (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 1008884-60-3) is a chemical compound with molecular formula C23H21N3O2S2 and molecular weight 435.1075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-methyl-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-methyl-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-METHYL-5-{[1-PHENYL-3-(3-PROPOXYPHENYL)-1H-PYRAZOL-4-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-3-methyl-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C23H21N3O2S2 |
| Molecular Weight | 435.1075 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.1075 Da |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
| SMILES | CCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4 |
| InChIKey | KKWQQFFUDLBVHB-ZHZULCJRSA-N |
The XLogP value of 5.5 indicates that (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-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 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 1008884-60-3.
The molecular formula of (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C23H21N3O2S2.
The molecular weight of (5Z)-3-methyl-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 435.1075 g/mol.
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