TL;DR: N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide (CAS 1164497-24-8) is a chemical compound with molecular formula C23H18ClN3O2S3 and molecular weight 499.02496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
Also Known As: N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide, (Z)-N-(5-(2-chlorobenzyl)thiazol-2-yl)-2-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide, N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-2-{4-oxo-2-thioxo-5-[1-p-tolyl-meth-(Z)-ylidene]-thiazolidin-3-yl}-acet amide, N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide, N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}-2-{5-[(4-methylphenyl)methyle ne]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}acetamide
| Molecular Formula | C23H18ClN3O2S3 |
| Molecular Weight | 499.02496 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.02496 Da |
| Heavy Atoms | 32 |
| Complexity | 757.0 |
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl |
| InChIKey | RBGISUGSPLTBAA-GRSHGNNSSA-N |
The XLogP value of 6.2 indicates that N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide is 1164497-24-8.
The molecular formula of N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide is C23H18ClN3O2S3.
The molecular weight of N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide is 499.02496 g/mol.
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