About 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole
2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 158172865) has the molecular formula C161H212N28O21S12
and a molecular weight of 3260.45 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole.
Frequently Asked Questions
What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole (CID 158172865) is 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole is CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(Cc5ccccc5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CC(C)C(=O)OC)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CC(C)C)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(N5CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCN(c3nc4ccc(C5=CCN(S(=O)(=O)CCC)CC5)cc4s3)CC2)nc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is FXQZGBNBPDROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5S2.C28H37N5O3S2.C27H33N3O3S2.C26H36N6O3S2.C26H34N6O2S2.C25H35N3O5S2/c1-4-5-21-17-30-28(31-18-21)33-12-10-24(11-13-33)39-29-32-25-7-6-23(16-26(25)40-29)22-8-14-34(15-9-22)41(36,37)19-20(2)27(35)38-3;1-4-5-21-17-29-27(30-18-21)32-12-10-24(11-13-32)36-28-31-25-7-6-23(16-26(25)37-28)22-8-14-33(15-9-22)38(34,35)19-20(2)3;1-2-18-35(31,32)30-16-10-22(11-17-30)23-8-9-25-26(19-23)34-27(28-25)33-24-12-14-29(15-13-24)20-21-6-4-3-5-7-21;1-3-5-20-18-27-25(28-19-20)31-10-8-22(9-11-31)35-26-29-23-7-6-21(17-24(23)36-26)30-12-14-32(15-13-30)37(33,34)16-4-2;1-3-5-20-18-27-25(28-19-20)30-12-14-31(15-13-30)26-29-23-7-6-22(17-24(23)35-26)21-8-10-32(11-9-21)36(33,34)16-4-2;1-5-16-35(30,31)28-14-8-18(9-15-28)19-6-7-21-22(17-19)34-23(26-21)32-20-10-12-27(13-11-20)24(29)33-25(2,3)4/h6-8,16-18,20,24H,4-5,9-15,19H2,1-3H3;6-8,16-18,20,24H,4-5,9-15,19H2,1-3H3;3-10,19,24H,2,11-18,20H2,1H3;6-7,17-19,22H,3-5,8-16H2,1-2H3;6-8,17-19H,3-5,9-16H2,1-2H3;6-8,17,20H,5,9-16H2,1-4H3.
What are the key properties of 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 3260.45 g/mol, XLogP of 27.69, 50 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;tert-butyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;methyl 2-methyl-3-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;6-[1-(2-methylpropylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(4-propylsulfonylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 158172865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).