TL;DR: (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide (CAS 900898-56-8) is a chemical compound with molecular formula C20H26N2O4S2 and molecular weight 422.1334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[(4-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]cyclohexanecarboxamide
Also Known As: (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide, N-[(2E)-3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide, N-[3-[(4-methoxyphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]cyclohexanecarboxamide
| Molecular Formula | C20H26N2O4S2 |
| Molecular Weight | 422.1334 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1334 Da |
| Heavy Atoms | 28 |
| Complexity | 704.0 |
| SMILES | COC1=CC=C(C=C1)CN2C3CS(=O)(=O)CC3SC2=NC(=O)C4CCCCC4 |
| InChIKey | PUTDCLIUUQUKDZ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide. Following Lipinski's Rule of Five, (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide 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 (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide is 900898-56-8.
The molecular formula of (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide is C20H26N2O4S2.
The molecular weight of (Z)-N-(3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)cyclohexanecarboxamide is 422.1334 g/mol.
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