TL;DR: (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide (CAS 578760-37-9) is a chemical compound with molecular formula C29H25N3O4S and molecular weight 511.1566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-cyano-2-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)acetamide
Also Known As: (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide, (2Z)-2-cyano-2-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)acetamide, (Z)-2-cyano-2-((E)-5-(2,5-dimethoxybenzylidene)-4-oxo-3-(p-tolyl)thiazolidin-2-ylidene)-N-(m-tolyl)acetamide, 2-{5-[(2,5-dimethoxyphenyl)methylene]-3-(4-methylphenyl)-4-oxo(1,3-thiazolidin -2-ylidene)}-2-cyano-N-(3-methylphenyl)acetamide
| Molecular Formula | C29H25N3O4S |
| Molecular Weight | 511.1566 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.1566 Da |
| Heavy Atoms | 37 |
| Complexity | 961.0 |
| SMILES | CC1=CC=C(C=C1)N\2C(=O)/C(=C\C3=C(C=CC(=C3)OC)OC)/S/C2=C(/C#N)\C(=O)NC4=CC=CC(=C4)C |
| InChIKey | UZKVTEYFUMDWEA-MJHDJXAISA-N |
The XLogP value of 6.1 indicates that (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide is 578760-37-9.
The molecular formula of (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide is C29H25N3O4S.
The molecular weight of (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide is 511.1566 g/mol.
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