2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

C130H161F2N17O21S11 — CID 161480179

About 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate

2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (PubChem CID 161480179) has the molecular formula C130H161F2N17O21S11 and a molecular weight of 2688.55 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
• PubChem CID: 161480179
• Molecular Formula: C130H161F2N17O21S11
• Molecular Weight: 2688.55 g/mol
• Exact Mass: 2685.89
• IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate
• SMILES: CCCOC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC)CC4)cc3s2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OC(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)Oc5ccc(C)cc5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ccc(C(C)(F)F)cn5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5nc6ccccc6s5)CC4)sc3c2)CC1
• InChI: InChI=1S/C28H33N3O5S2.C27H32F2N4O3S2.C27H30N4O3S3.2C24H33N3O5S2/c1-3-18-38(33,34)31-16-10-21(11-17-31)22-6-9-25-26(19-22)37-27(29-25)35-24-12-14-30(15-13-24)28(32)36-23-7-4-20(2)5-8-23;1-3-16-38(34,35)33-14-8-19(9-15-33)20-4-6-23-24(17-20)37-26(31-23)36-22-10-12-32(13-11-22)25-7-5-21(18-30-25)27(2,28)29;1-2-17-37(32,33)31-15-9-19(10-16-31)20-7-8-23-25(18-20)36-27(29-23)34-21-11-13-30(14-12-21)26-28-22-5-3-4-6-24(22)35-26;1-4-15-34(29,30)27-13-7-18(8-14-27)19-5-6-21-22(16-19)33-23(25-21)32-20-9-11-26(12-10-20)24(28)31-17(2)3;1-3-15-31-24(28)26-11-9-20(10-12-26)32-23-25-21-6-5-19(17-22(21)33-23)18-7-13-27(14-8-18)34(29,30)16-4-2/h4-10,19,24H,3,11-18H2,1-2H3;4-8,17-18,22H,3,9-16H2,1-2H3;3-9,18,21H,2,10-17H2,1H3;5-7,16-17,20H,4,8-15H2,1-3H3;5-7,17,20H,3-4,8-16H2,1-2H3
• InChIKey: WEGGJHQGMKMTSP-UHFFFAOYSA-N
• XLogP: 25.97
• TPSA: 418.38 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2688.55
LogP ≤ 5	25.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The IUPAC name of 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate (CID 161480179) is 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate.

What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The canonical SMILES for 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is CCCOC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCC)CC4)cc3s2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OC(C)C)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)Oc5ccc(C)cc5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ccc(C(C)(F)F)cn5)CC4)sc3c2)CC1.CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5nc6ccccc6s5)CC4)sc3c2)CC1.

What is the InChIKey of 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

The InChIKey is WEGGJHQGMKMTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S2.C27H32F2N4O3S2.C27H30N4O3S3.2C24H33N3O5S2/c1-3-18-38(33,34)31-16-10-21(11-17-31)22-6-9-25-26(19-22)37-27(29-25)35-24-12-14-30(15-13-24)28(32)36-23-7-4-20(2)5-8-23;1-3-16-38(34,35)33-14-8-19(9-15-33)20-4-6-23-24(17-20)37-26(31-23)36-22-10-12-32(13-11-22)25-7-5-21(18-30-25)27(2,28)29;1-2-17-37(32,33)31-15-9-19(10-16-31)20-7-8-23-25(18-20)36-27(29-23)34-21-11-13-30(14-12-21)26-28-22-5-3-4-6-24(22)35-26;1-4-15-34(29,30)27-13-7-18(8-14-27)19-5-6-21-22(16-19)33-23(25-21)32-20-9-11-26(12-10-20)24(28)31-17(2)3;1-3-15-31-24(28)26-11-9-20(10-12-26)32-23-25-21-6-5-19(17-22(21)33-23)18-7-13-27(14-8-18)34(29,30)16-4-2/h4-10,19,24H,3,11-18H2,1-2H3;4-8,17-18,22H,3,9-16H2,1-2H3;3-9,18,21H,2,10-17H2,1H3;5-7,16-17,20H,4,8-15H2,1-3H3;5-7,17,20H,3-4,8-16H2,1-2H3.

What are the key properties of 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate?

2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate has a molecular weight of 2688.55 g/mol, XLogP of 25.97, 37 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;(4-methylphenyl) 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propyl 4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 161480179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).