TL;DR: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one (CAS 847243-78-1) is a chemical compound with molecular formula C23H24ClN3O3S and molecular weight 457.12268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
Also Known As: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one, (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one, (E)-2-(4-(3-chloro-4-methylphenyl)piperazin-1-yl)-5-(3,4-dimethoxybenzylidene)thiazol-4(5H)-one
| Molecular Formula | C23H24ClN3O3S |
| Molecular Weight | 457.12268 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.12268 Da |
| Heavy Atoms | 31 |
| Complexity | 710.0 |
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)OC)OC)/S3)Cl |
| InChIKey | FSVDUJZFBZFBAM-FYJGNVAPSA-N |
The XLogP value of 5.0 indicates that (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-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 (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 847243-78-1.
The molecular formula of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is C23H24ClN3O3S.
The molecular weight of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 457.12268 g/mol.
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