TL;DR: N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide (CAS 896805-58-6) is a chemical compound with molecular formula C18H24N2O5S2 and molecular weight 412.11267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(2,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Also Known As: N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide, (Z)-N-(3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-methylbutanamide, N-[3-(2,4-dimethoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
| Molecular Formula | C18H24N2O5S2 |
| Molecular Weight | 412.11267 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.11267 Da |
| Heavy Atoms | 27 |
| Complexity | 688.0 |
| SMILES | CC(C)CC(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=C(C=C(C=C3)OC)OC |
| InChIKey | NCRUEMQVGGFUTO-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide. Following Lipinski's Rule of Five, N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide 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-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is 896805-58-6.
The molecular formula of N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is C18H24N2O5S2.
The molecular weight of N-[(2Z)-3-(2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is 412.11267 g/mol.
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