TL;DR: (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide (CAS 1164502-92-4) is a chemical compound with molecular formula C23H23N3O3S3 and molecular weight 485.09015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Also Known As: (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide, N-[(2Z)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide, N-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide, N-[3-[4-(6-Methyl-benzothiazol-2-yl)-phenyl]-5,5-dioxo-hexahydro-5lambda*6*-thieno[3,4-d]thiazol-(2Z)-ylidene]-butyramide
| Molecular Formula | C23H23N3O3S3 |
| Molecular Weight | 485.09015 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.09015 Da |
| Heavy Atoms | 32 |
| Complexity | 850.0 |
| SMILES | CCCC(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C |
| InChIKey | CCPNBNPNOBGXFV-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide 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 (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide is 1164502-92-4.
The molecular formula of (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide is C23H23N3O3S3.
The molecular weight of (Z)-N-(3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)butyramide is 485.09015 g/mol.
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