cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol

C116H161N18O18PS8 — CID 160691068

About cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol

cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol (PubChem CID 160691068) has the molecular formula C116H161N18O18PS8 and a molecular weight of 2383.18 g/mol. Its IUPAC name is cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol.

Molecular Properties

• Compound Name: cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol
• PubChem CID: 160691068
• Molecular Formula: C116H161N18O18PS8
• Molecular Weight: 2383.18 g/mol
• Exact Mass: 2380.97
• IUPAC Name: cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol
• SMILES: CC(C)(O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC5CCC5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Cc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Cc3nc4ccc(C5CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCCP(=O)(OCC)OCC)CC5)cc4s3)CC2)nc1
• InChI: InChI=1S/C32H46N5O6PS2.C28H39N5O3S2.C28H37N5O3S2.C28H39N3O6S2/c1-4-9-25-23-33-31(34-24-25)36-16-14-28(15-17-36)43-32-35-29-11-10-27(22-30(29)45-32)26-12-18-37(19-13-26)46(39,40)21-8-7-20-44(38,41-5-2)42-6-3;2*1-2-4-22-19-29-28(30-20-22)32-11-7-21(8-12-32)17-27-31-25-6-5-24(18-26(25)37-27)23-9-13-33(14-10-23)38(35,36)16-3-15-34;1-28(2,33)12-17-39(34,35)31-15-8-21(9-16-31)22-6-7-24-25(18-22)38-26(29-24)37-23-10-13-30(14-11-23)27(32)36-19-20-4-3-5-20/h10-12,22-24,28H,4-9,13-21H2,1-3H3;5-6,18-21,23,34H,2-4,7-17H2,1H3;5-6,9,18-21,34H,2-4,7-8,10-17H2,1H3;6-8,18,20,23,33H,3-5,9-17,19H2,1-2H3
• InChIKey: RPKHDWIVGLOHSI-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 432.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.18
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?

The IUPAC name of cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol (CID 160691068) is cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol.

What is the SMILES notation for cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?

The canonical SMILES for cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol is CC(C)(O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC5CCC5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Cc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Cc3nc4ccc(C5CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCCP(=O)(OCC)OCC)CC5)cc4s3)CC2)nc1.

What is the InChIKey of cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?

The InChIKey is RPKHDWIVGLOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N5O6PS2.C28H39N5O3S2.C28H37N5O3S2.C28H39N3O6S2/c1-4-9-25-23-33-31(34-24-25)36-16-14-28(15-17-36)43-32-35-29-11-10-27(22-30(29)45-32)26-12-18-37(19-13-26)46(39,40)21-8-7-20-44(38,41-5-2)42-6-3;2*1-2-4-22-19-29-28(30-20-22)32-11-7-21(8-12-32)17-27-31-25-6-5-24(18-26(25)37-27)23-9-13-33(14-10-23)38(35,36)16-3-15-34;1-28(2,33)12-17-39(34,35)31-15-8-21(9-16-31)22-6-7-24-25(18-22)38-26(29-24)37-23-10-13-30(14-11-23)27(32)36-19-20-4-3-5-20/h10-12,22-24,28H,4-9,13-21H2,1-3H3;5-6,18-21,23,34H,2-4,7-17H2,1H3;5-6,9,18-21,34H,2-4,7-8,10-17H2,1H3;6-8,18,20,23,33H,3-5,9-17,19H2,1-2H3.

What are the key properties of cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol?

cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol has a molecular weight of 2383.18 g/mol, XLogP of 19.90, 45 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutylmethyl 4-[[6-[1-(3-hydroxy-3-methylbutyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzothiazol-2-yl]oxy]piperidine-1-carboxylate;6-[1-(4-diethoxyphosphorylbutylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;3-[[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[4-[2-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]-1,3-benzothiazol-6-yl]piperidin-1-yl]sulfonylpropan-1-ol is sourced from PubChem (CID 160691068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).