2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole

C171H223F2N21O33S17 — CID 158247232

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole
SMILESCCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)C5CC5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(C)=O)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CC(C)(F)F)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CCC)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)c5ccccc5)CC4)sc3c2)CC1
InChIInChI=1S/C28H33N3O5S2.C26H31N3O5S3.C25H35N3O5S2.C24H31N3O4S2.C23H31F2N3O5S3.C23H33N3O5S3.C22H29N3O4S2/c1-2-18-38(33,34)31-16-10-22(11-17-31)23-8-9-25-26(19-23)37-27(29-25)36-24-12-14-30(15-13-24)28(32)35-20-21-6-4-3-5-7-21;1-2-18-36(30,31)28-14-10-20(11-15-28)21-8-9-24-25(19-21)35-26(27-24)34-22-12-16-29(17-13-22)37(32,33)23-6-4-3-5-7-23;1-4-15-35(30,31)28-13-7-19(8-14-28)20-5-6-22-23(16-20)34-24(26-22)33-21-9-11-27(12-10-21)25(29)32-17-18(2)3;1-2-15-33(29,30)27-13-7-17(8-14-27)19-5-6-21-22(16-19)32-24(25-21)31-20-9-11-26(12-10-20)23(28)18-3-4-18;1-3-14-35(29,30)27-10-6-17(7-11-27)18-4-5-20-21(15-18)34-22(26-20)33-19-8-12-28(13-9-19)36(31,32)16-23(2,24)25;1-3-15-33(27,28)25-11-7-18(8-12-25)19-5-6-21-22(17-19)32-23(24-21)31-20-9-13-26(14-10-20)34(29,30)16-4-2;1-3-14-31(27,28)25-12-6-17(7-13-25)18-4-5-20-21(15-18)30-22(23-20)29-19-8-10-24(11-9-19)16(2)26/h3-10,19,24H,2,11-18,20H2,1H3;3-10,19,22H,2,11-18H2,1H3;5-7,16,18,21H,4,8-15,17H2,1-3H3;5-7,16,18,20H,2-4,8-15H2,1H3;4-6,15,19H,3,7-14,16H2,1-2H3;5-7,17,20H,3-4,8-16H2,1-2H3;4-6,15,19H,3,7-14H2,1-2H3
InChIKeyGGGPXFYGCIJXIA-UHFFFAOYSA-N
MW3683.91 g/mol
LogP29.50
Rot. Bonds55

About 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole

2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole (PubChem CID 158247232) has the molecular formula C171H223F2N21O33S17 and a molecular weight of 3683.91 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole
PubChem CID158247232
Molecular FormulaC171H223F2N21O33S17
Molecular Weight3683.91 g/mol
Exact Mass3680.16
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole
SMILESCCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)C5CC5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(C)=O)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CC(C)(F)F)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CCC)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)c5ccccc5)CC4)sc3c2)CC1
InChIInChI=1S/C28H33N3O5S2.C26H31N3O5S3.C25H35N3O5S2.C24H31N3O4S2.C23H31F2N3O5S3.C23H33N3O5S3.C22H29N3O4S2/c1-2-18-38(33,34)31-16-10-22(11-17-31)23-8-9-25-26(19-23)37-27(29-25)36-24-12-14-30(15-13-24)28(32)35-20-21-6-4-3-5-7-21;1-2-18-36(30,31)28-14-10-20(11-15-28)21-8-9-24-25(19-21)35-26(27-24)34-22-12-16-29(17-13-22)37(32,33)23-6-4-3-5-7-23;1-4-15-35(30,31)28-13-7-19(8-14-28)20-5-6-22-23(16-20)34-24(26-22)33-21-9-11-27(12-10-21)25(29)32-17-18(2)3;1-2-15-33(29,30)27-13-7-17(8-14-27)19-5-6-21-22(16-19)32-24(25-21)31-20-9-11-26(12-10-20)23(28)18-3-4-18;1-3-14-35(29,30)27-10-6-17(7-11-27)18-4-5-20-21(15-18)34-22(26-20)33-19-8-12-28(13-9-19)36(31,32)16-23(2,24)25;1-3-15-33(27,28)25-11-7-18(8-12-25)19-5-6-21-22(17-19)32-23(24-21)31-20-9-13-26(14-10-20)34(29,30)16-4-2;1-3-14-31(27,28)25-12-6-17(7-13-25)18-4-5-20-21(15-18)30-22(23-20)29-19-8-10-24(11-9-19)16(2)26/h3-10,19,24H,2,11-18,20H2,1H3;3-10,19,22H,2,11-18H2,1H3;5-7,16,18,21H,4,8-15,17H2,1-3H3;5-7,16,18,20H,2-4,8-15H2,1H3;4-6,15,19H,3,7-14,16H2,1-2H3;5-7,17,20H,3-4,8-16H2,1-2H3;4-6,15,19H,3,7-14H2,1-2H3
InChIKeyGGGPXFYGCIJXIA-UHFFFAOYSA-N
XLogP29.50
TPSA628.34 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds55
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003683.91
LogP ≤ 529.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole (CID 158247232) is 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole is CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)C5CC5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCc5ccccc5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(C)=O)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CC(C)(F)F)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)CCC)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(S(=O)(=O)c5ccccc5)CC4)sc3c2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole?
The InChIKey is GGGPXFYGCIJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S2.C26H31N3O5S3.C25H35N3O5S2.C24H31N3O4S2.C23H31F2N3O5S3.C23H33N3O5S3.C22H29N3O4S2/c1-2-18-38(33,34)31-16-10-22(11-17-31)23-8-9-25-26(19-23)37-27(29-25)36-24-12-14-30(15-13-24)28(32)35-20-21-6-4-3-5-7-21;1-2-18-36(30,31)28-14-10-20(11-15-28)21-8-9-24-25(19-21)35-26(27-24)34-22-12-16-29(17-13-22)37(32,33)23-6-4-3-5-7-23;1-4-15-35(30,31)28-13-7-19(8-14-28)20-5-6-22-23(16-20)34-24(26-22)33-21-9-11-27(12-10-21)25(29)32-17-18(2)3;1-2-15-33(29,30)27-13-7-17(8-14-27)19-5-6-21-22(16-19)32-24(25-21)31-20-9-11-26(12-10-20)23(28)18-3-4-18;1-3-14-35(29,30)27-10-6-17(7-11-27)18-4-5-20-21(15-18)34-22(26-20)33-19-8-12-28(13-9-19)36(31,32)16-23(2,24)25;1-3-15-33(27,28)25-11-7-18(8-12-25)19-5-6-21-22(17-19)32-23(24-21)31-20-9-13-26(14-10-20)34(29,30)16-4-2;1-3-14-31(27,28)25-12-6-17(7-13-25)18-4-5-20-21(15-18)30-22(23-20)29-19-8-10-24(11-9-19)16(2)26/h3-10,19,24H,2,11-18,20H2,1H3;3-10,19,22H,2,11-18H2,1H3;5-7,16,18,21H,4,8-15,17H2,1-3H3;5-7,16,18,20H,2-4,8-15H2,1H3;4-6,15,19H,3,7-14,16H2,1-2H3;5-7,17,20H,3-4,8-16H2,1-2H3;4-6,15,19H,3,7-14H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole?
2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole has a molecular weight of 3683.91 g/mol, XLogP of 29.50, 55 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;benzyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;cyclopropyl-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]methanone;2-[1-(2,2-difluoropropylsulfonyl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-methylpropyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;1-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]ethanone;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-propylsulfonylpiperidin-4-yl)oxy-1,3-benzothiazole is sourced from PubChem (CID 158247232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).