TL;DR: (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one (CAS 1164540-40-2) is a chemical compound with molecular formula C24H20N4O3S2 and molecular weight 476.0977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one, (5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(1-ethyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, 3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C24H20N4O3S2 |
| Molecular Weight | 476.0977 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.0977 Da |
| Heavy Atoms | 33 |
| Complexity | 984.0 |
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)/C1=O |
| InChIKey | MNMIQJDTZORRKD-ZZEZOPTASA-N |
The XLogP value of 4.1 indicates that (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one is 1164540-40-2.
The molecular formula of (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one is C24H20N4O3S2.
The molecular weight of (3Z)-3-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one is 476.0977 g/mol.
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