About cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol
cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol (PubChem CID 159280816) has the molecular formula C163H227N25O30S12
and a molecular weight of 3401.56 g/mol. Its IUPAC name is cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol.
Frequently Asked Questions
What is the IUPAC name of cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol?
The IUPAC name of cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol (CID 159280816) is cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol.
What is the SMILES notation for cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol?
The canonical SMILES for cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol is CC(C)(O)CCCS(=O)(=O)N1CCC(c2ccc3nc(OC4CCN(C(=O)OCC5CCC5)CC4)sc3c2)CC1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCC(C)(C)O)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(N5CCN(S(=O)(=O)CCC(C)(C)O)CC5)cc4s3)CC2)nc1.O=C(OCC1CCC1)N1CCC(Oc2nc3ccc(C4CCN(S(=O)(=O)CCCCO)CC4)cc3s2)CC1.O=C(OCC1CCC1)N1CCC(Oc2nc3ccc(C4CCN(S(=O)(=O)CCCO)CC4)cc3s2)CC1.
What is the InChIKey of cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol?
The InChIKey is KYWWGAQJOKZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O6S2.C28H37N5O4S2.C27H35N5O4S2.C27H39N3O6S2.C26H36N6O4S2.C26H37N3O6S2/c1-29(2,34)13-4-18-40(35,36)32-16-9-22(10-17-32)23-7-8-25-26(19-23)39-27(30-25)38-24-11-14-31(15-12-24)28(33)37-20-21-5-3-6-21;1-20-18-29-26(30-19-20)32-12-9-23(10-13-32)37-27-31-24-6-5-22(17-25(24)38-27)21-7-14-33(15-8-21)39(35,36)16-4-11-28(2,3)34;1-19-17-28-25(29-18-19)31-11-8-22(9-12-31)36-26-30-23-5-4-21(16-24(23)37-26)20-6-13-32(14-7-20)38(34,35)15-10-27(2,3)33;31-16-1-2-17-38(33,34)30-14-8-21(9-15-30)22-6-7-24-25(18-22)37-26(28-24)36-23-10-12-29(13-11-23)27(32)35-19-20-4-3-5-20;1-19-17-27-24(28-18-19)31-9-6-21(7-10-31)36-25-29-22-5-4-20(16-23(22)37-25)30-11-13-32(14-12-30)38(34,35)15-8-26(2,3)33;30-15-2-16-37(32,33)29-13-7-20(8-14-29)21-5-6-23-24(17-21)36-25(27-23)35-22-9-11-28(12-10-22)26(31)34-18-19-3-1-4-19/h7-8,19,21-22,24,34H,3-6,9-18,20H2,1-2H3;5-7,17-19,23,34H,4,8-16H2,1-3H3;4-6,16-18,22,33H,7-15H2,1-3H3;6-7,18,20-21,23,31H,1-5,8-17,19H2;4-5,16-18,21,33H,6-15H2,1-3H3;5-6,17,19-20,22,30H,1-4,7-16,18H2.
What are the key properties of cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol?
cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol has a molecular weight of 3401.56 g/mol, XLogP of 24.95, 54 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 4-[[6-[1-(4-hydroxybutylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonylpiperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclobutylmethyl 4-[[6-[1-(3-hydroxypropylsulfonyl)piperidin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;2-methyl-4-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;2-methyl-5-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pentan-2-ol;2-methyl-4-[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperazin-1-yl]sulfonylbutan-2-ol is sourced from PubChem (CID 159280816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).