About 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide
2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 162068325) has the molecular formula C131H108Cl3FN24O26S7
and a molecular weight of 2784.27 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide.
Frequently Asked Questions
What is the IUPAC name of 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide (CID 162068325) is 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide is CC(=O)N1CCCC(Oc2nccc(N3Cc4ccccc4S3(=O)=O)n2)C1.COc1cc(N2Cc3ccccc3S2(=O)=O)nc(Oc2ccc(Cl)cc2)n1.COc1cc(Oc2ccc(Cl)cc2)nc(N2Cc3ccccc3S2(=O)=O)n1.COc1ccc(-c2cc(N3Cc4ccccc4S3(=O)=O)nc(Oc3cccnc3)n2)cc1.Cc1cc(N2Cc3ccccc3S2(=O)=O)nc(Oc2ccc(Cl)cc2)n1.O=C(COc1nccc(N2Cc3ccccc3S2(=O)=O)n1)Nc1ccccc1.O=S1(=O)c2ccccc2CN1c1ccnc(Oc2ccccc2F)n1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is ZASYOGZYLNFACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S.C19H16N4O4S.2C18H14ClN3O4S.C18H14ClN3O3S.C18H20N4O4S.C17H12FN3O3S/c1-30-18-10-8-16(9-11-18)20-13-22(26-23(25-20)31-19-6-4-12-24-14-19)27-15-17-5-2-3-7-21(17)32(27,28)29;24-18(21-15-7-2-1-3-8-15)13-27-19-20-11-10-17(22-19)23-12-14-6-4-5-9-16(14)28(23,25)26;1-25-16-10-17(26-14-8-6-13(19)7-9-14)21-18(20-16)22-11-12-4-2-3-5-15(12)27(22,23)24;1-25-17-10-16(20-18(21-17)26-14-8-6-13(19)7-9-14)22-11-12-4-2-3-5-15(12)27(22,23)24;1-12-10-17(21-18(20-12)25-15-8-6-14(19)7-9-15)22-11-13-4-2-3-5-16(13)26(22,23)24;1-13(23)21-10-4-6-15(12-21)26-18-19-9-8-17(20-18)22-11-14-5-2-3-7-16(14)27(22,24)25;18-13-6-2-3-7-14(13)24-17-19-10-9-16(20-17)21-11-12-5-1-4-8-15(12)25(21,22)23/h2-14H,15H2,1H3;1-11H,12-13H2,(H,21,24);2*2-10H,11H2,1H3;2-10H,11H2,1H3;2-3,5,7-9,15H,4,6,10-12H2,1H3;1-10H,11H2.
What are the key properties of 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide?
2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 2784.27 g/mol, XLogP of 22.16, 27 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 162068325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).