TL;DR: N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide (CAS 1164534-64-8) is a chemical compound with molecular formula C17H22N2O3S2 and molecular weight 366.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-3-methylbutanamide
Also Known As: N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide, (Z)-N-(3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-methylbutanamide, N-(3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene)-3-methylbutanamide, N-[3-Benzyl-5,5-dioxo-hexahydro-5lambda*6*-thieno[3,4-d]thiazol-(2Z)-ylidene]-3-methyl-butyramide
| Molecular Formula | C17H22N2O3S2 |
| Molecular Weight | 366.10718 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.10718 Da |
| Heavy Atoms | 24 |
| Complexity | 604.0 |
| SMILES | CC(C)CC(=O)N=C1N(C2CS(=O)(=O)CC2S1)CC3=CC=CC=C3 |
| InChIKey | GTVQPKCWCMUUMC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide. Following Lipinski's Rule of Five, N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide has 0 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 N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is 1164534-64-8.
The molecular formula of N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is C17H22N2O3S2.
The molecular weight of N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide is 366.10718 g/mol.
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