TL;DR: N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide (CAS 1024808-91-0) is a chemical compound with molecular formula C16H17BrN2O4S2 and molecular weight 443.98132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(3-bromophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
Also Known As: N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide, (Z)-N-(3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)tetrahydrofuran-2-carboxamide, N-[3-(3-bromophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide
| Molecular Formula | C16H17BrN2O4S2 |
| Molecular Weight | 443.98132 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.98132 Da |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
| SMILES | C1CC(OC1)C(=O)N=C2N(C3CS(=O)(=O)CC3S2)C4=CC(=CC=C4)Br |
| InChIKey | WJGSJRXISYOYFK-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide is 1024808-91-0.
The molecular formula of N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide is C16H17BrN2O4S2.
The molecular weight of N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide is 443.98132 g/mol.
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