TL;DR: 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 1023845-26-2) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(((6-ethoxybenzo[d]thiazol-2-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, F3389-0108
| Molecular Formula | C16H16N2O5S |
| Molecular Weight | 348.078 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.078 Da |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=O)OC(OC3=O)(C)C |
| InChIKey | ZINYWPPCKASKSA-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione is 1023845-26-2.
The molecular formula of 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione is C16H16N2O5S.
The molecular weight of 5-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione is 348.078 g/mol.
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