TL;DR: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide (CAS 1164499-60-8) is a chemical compound with molecular formula C17H20N2O5S2 and molecular weight 396.08136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(1,3-benzodioxol-5-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
Also Known As: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide, (Z)-N-(3-(benzo[d][1,3]dioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)pivalamide, N-[3-(1,3-benzodioxol-5-yl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide
| Molecular Formula | C17H20N2O5S2 |
| Molecular Weight | 396.08136 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.08136 Da |
| Heavy Atoms | 26 |
| Complexity | 724.0 |
| SMILES | CC(C)(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC4=C(C=C3)OCO4 |
| InChIKey | RKNQVTJVGAUYLZ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide. Following Lipinski's Rule of Five, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide is 1164499-60-8.
The molecular formula of N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide is C17H20N2O5S2.
The molecular weight of N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide is 396.08136 g/mol.
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