TL;DR: 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide (CAS 1164488-37-2) is a chemical compound with molecular formula C25H25N5O3S and molecular weight 475.16782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
Also Known As: 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide, (Z)-2-(3-allyl-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)-4-oxothiazolidin-5-yl)-N-phenylacetamide, 2-[(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-phenylacetamide, 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide, 2-{2-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))azamethylene]-4-oxo-3-pro p-2-enyl(1,3-thiazolidin-5-yl)}-N-phenylacetamide
| Molecular Formula | C25H25N5O3S |
| Molecular Weight | 475.16782 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.16782 Da |
| Heavy Atoms | 34 |
| Complexity | 889.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(S3)CC(=O)NC4=CC=CC=C4)CC=C |
| InChIKey | DYGYXSOVQRKBPI-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide. Following Lipinski's Rule of Five, 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide has 1 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 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide is 1164488-37-2.
The molecular formula of 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide is C25H25N5O3S.
The molecular weight of 2-{3-allyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-yl}-N-phenylacetamide is 475.16782 g/mol.
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