TL;DR: 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one (CAS 426247-49-6) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-amino-5-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
Also Known As: AO-299/41407480, (5Z)-2-amino-5-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one, 5-{2-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one
| Molecular Formula | C20H20N2O3S |
| Molecular Weight | 368.11948 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11948 Da |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
| SMILES | CC1=CC(=C(C=C1)OCCOC2=CC=CC=C2/C=C\3/C(=O)N=C(S3)N)C |
| InChIKey | VDDRDJCLKGTIKA-PDGQHHTCSA-N |
The XLogP value of 4.2 indicates that 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one is 426247-49-6.
The molecular formula of 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one is C20H20N2O3S.
The molecular weight of 5-{2-[2-(2,4-Dimethylphenoxy)ethoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one is 368.11948 g/mol.
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