2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C136H185N21O22S10 — CID 159670749

About 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 159670749) has the molecular formula C136H185N21O22S10 and a molecular weight of 2786.77 g/mol. Its IUPAC name is 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 159670749
• Molecular Formula: C136H185N21O22S10
• Molecular Weight: 2786.77 g/mol
• Exact Mass: 2784.12
• IUPAC Name: 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CC(C)OC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCCC(C)(C)O)CC4)cc3s2)CC1.CC(C)OC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCCCO)CC4)cc3s2)CC1.CCCNC(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(CCC)cn5)CC4)sc3c2)CC1.CCCc1cnc(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)s1
• InChI: InChI=1S/C29H39N5O4S2.C28H36N6O2S.C27H36N4O4S3.C27H39N3O6S2.C25H35N3O6S2/c1-4-5-21-19-30-27(31-20-21)33-13-10-24(11-14-33)38-28-32-25-7-6-23(18-26(25)39-28)22-8-15-34(16-9-22)40(36,37)17-12-29(2,3)35;1-3-5-20-18-30-26(31-19-20)33-15-10-23(11-16-33)36-28-32-24-7-6-22(17-25(24)37-28)21-8-13-34(14-9-21)27(35)29-12-4-2;1-19-18-28-25(36-19)30-12-9-22(10-13-30)35-26-29-23-6-5-21(17-24(23)37-26)20-7-14-31(15-8-20)38(33,34)16-4-11-27(2,3)32;1-19(2)35-26(31)29-13-10-22(11-14-29)36-25-28-23-7-6-21(18-24(23)37-25)20-8-15-30(16-9-20)38(33,34)17-5-12-27(3,4)32;1-18(2)33-25(30)27-11-9-21(10-12-27)34-24-26-22-6-5-20(17-23(22)35-24)19-7-13-28(14-8-19)36(31,32)16-4-3-15-29/h6-8,18-20,24,35H,4-5,9-17H2,1-3H3;6-8,17-19,23H,3-5,9-16H2,1-2H3,(H,29,35);5-7,17-18,22,32H,4,8-16H2,1-3H3;6-8,18-19,22,32H,5,9-17H2,1-4H3;5-7,17-18,21,29H,3-4,8-16H2,1-2H3
• InChIKey: MTYVCYCLCKWHOT-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 506.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 45
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2786.77
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 159670749) is 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)OC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCCC(C)(C)O)CC4)cc3s2)CC1.CC(C)OC(=O)N1CCC(Oc2nc3ccc(C4=CCN(S(=O)(=O)CCCCO)CC4)cc3s2)CC1.CCCNC(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(CCC)cn5)CC4)sc3c2)CC1.CCCc1cnc(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)s1.

What is the InChIKey of 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is MTYVCYCLCKWHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O4S2.C28H36N6O2S.C27H36N4O4S3.C27H39N3O6S2.C25H35N3O6S2/c1-4-5-21-19-30-27(31-20-21)33-13-10-24(11-14-33)38-28-32-25-7-6-23(18-26(25)39-28)22-8-15-34(16-9-22)40(36,37)17-12-29(2,3)35;1-3-5-20-18-30-26(31-19-20)33-15-10-23(11-16-33)36-28-32-24-7-6-22(17-25(24)37-28)21-8-13-34(14-9-21)27(35)29-12-4-2;1-19-18-28-25(36-19)30-12-9-22(10-13-30)35-26-29-23-6-5-21(17-24(23)37-26)20-7-14-31(15-8-20)38(33,34)16-4-11-27(2,3)32;1-19(2)35-26(31)29-13-10-22(11-14-29)36-25-28-23-7-6-21(18-24(23)37-25)20-8-15-30(16-9-20)38(33,34)17-5-12-27(3,4)32;1-18(2)33-25(30)27-11-9-21(10-12-27)34-24-26-22-6-5-20(17-23(22)35-24)19-7-13-28(14-8-19)36(31,32)16-4-3-15-29/h6-8,18-20,24,35H,4-5,9-17H2,1-3H3;6-8,17-19,23H,3-5,9-16H2,1-2H3,(H,29,35);5-7,17-18,22,32H,4,8-16H2,1-3H3;6-8,18-19,22,32H,5,9-17H2,1-4H3;5-7,17-18,21,29H,3-4,8-16H2,1-2H3.

What are the key properties of 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 2786.77 g/mol, XLogP of 23.57, 45 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[4-[2-[1-(5-methyl-1,3-thiazol-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-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-2-ol;propan-2-yl 4-[[6-[1-(4-hydroxybutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;propan-2-yl 4-[[6-[1-(4-hydroxy-4-methylpentyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;N-propyl-4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 159670749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).