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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

C162H206N30O23S12 — CID 157236831

About 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (PubChem CID 157236831) has the molecular formula C162H206N30O23S12 and a molecular weight of 3326.42 g/mol. Its IUPAC name is 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
• PubChem CID: 157236831
• Molecular Formula: C162H206N30O23S12
• Molecular Weight: 3326.42 g/mol
• Exact Mass: 3323.25
• IUPAC Name: 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
• SMILES: CCCc1cnc(N2C[C@@H]3C(COc4nc5ccc(C6=CCN(S(=O)(=O)CCC)CC6)cc5s4)[C@@H]3C2)nc1.CCCc1cnc(N2C[C@@H]3C(COc4nc5ccc(C6=CCN(S(=O)(=O)CCCO)CC6)cc5s4)[C@@H]3C2)nc1.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(C5=CCN(S(=O)(=O)CCCCO)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1
• InChI: InChI=1S/C28H35N5O4S2.C28H37N5O4S2.C28H35N5O3S2.C27H35N5O4S2.C26H33N5O4S2.C25H31N5O4S2/c1-2-4-19-14-29-27(30-15-19)32-16-22-23(17-32)24(22)18-37-28-31-25-6-5-21(13-26(25)38-28)20-7-9-33(10-8-20)39(35,36)12-3-11-34;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;1-3-5-19-14-29-27(30-15-19)32-16-22-23(17-32)24(22)18-36-28-31-25-7-6-21(13-26(25)37-28)20-8-10-33(11-9-20)38(34,35)12-4-2;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;1-19-17-27-25(28-18-19)30-10-8-22(9-11-30)35-26-29-23-5-4-21(16-24(23)36-26)20-6-12-31(13-7-20)37(33,34)15-3-2-14-32;1-18-16-26-24(27-17-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31/h5-7,13-15,22-24,34H,2-4,8-12,16-18H2,1H3;5-7,17-19,23,34H,4,8-16H2,1-3H3;6-8,13-15,22-24H,3-5,9-12,16-18H2,1-2H3;4-6,16-18,22,33H,7-15H2,1-3H3;4-6,16-18,22,32H,2-3,7-15H2,1H3;3-5,15-17,21,31H,2,6-14H2,1H3/t22-,23+,24?;;22-,23+,24?
• InChIKey: AUSRCWYXXVHQCZ-RQKUFJMRSA-N
• XLogP: 23.54
• TPSA: 632.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 55
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3326.42
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The IUPAC name of 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (CID 157236831) is 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.

What is the SMILES notation for 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The canonical SMILES for 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is CCCc1cnc(N2C[C@@H]3C(COc4nc5ccc(C6=CCN(S(=O)(=O)CCC)CC6)cc5s4)[C@@H]3C2)nc1.CCCc1cnc(N2C[C@@H]3C(COc4nc5ccc(C6=CCN(S(=O)(=O)CCCO)CC6)cc5s4)[C@@H]3C2)nc1.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(C5=CCN(S(=O)(=O)CCCCO)CC5)cc4s3)CC2)nc1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCO)CC5)cc4s3)CC2)nc1.

What is the InChIKey of 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The InChIKey is AUSRCWYXXVHQCZ-RQKUFJMRSA-N. The full InChI is InChI=1S/C28H35N5O4S2.C28H37N5O4S2.C28H35N5O3S2.C27H35N5O4S2.C26H33N5O4S2.C25H31N5O4S2/c1-2-4-19-14-29-27(30-15-19)32-16-22-23(17-32)24(22)18-37-28-31-25-6-5-21(13-26(25)38-28)20-7-9-33(10-8-20)39(35,36)12-3-11-34;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;1-3-5-19-14-29-27(30-15-19)32-16-22-23(17-32)24(22)18-36-28-31-25-7-6-21(13-26(25)37-28)20-8-10-33(11-9-20)38(34,35)12-4-2;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;1-19-17-27-25(28-18-19)30-10-8-22(9-11-30)35-26-29-23-5-4-21(16-24(23)36-26)20-6-12-31(13-7-20)37(33,34)15-3-2-14-32;1-18-16-26-24(27-17-18)29-9-7-21(8-10-29)34-25-28-22-4-3-20(15-23(22)35-25)19-5-11-30(12-6-19)36(32,33)14-2-13-31/h5-7,13-15,22-24,34H,2-4,8-12,16-18H2,1H3;5-7,17-19,23,34H,4,8-16H2,1-3H3;6-8,13-15,22-24H,3-5,9-12,16-18H2,1-2H3;4-6,16-18,22,33H,7-15H2,1-3H3;4-6,16-18,22,32H,2-3,7-15H2,1H3;3-5,15-17,21,31H,2,6-14H2,1H3/t22-,23+,24?;;22-,23+,24?;;;.

What are the key properties of 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole has a molecular weight of 3326.42 g/mol, XLogP of 23.54, 55 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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-1-ol;3-[[4-[2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;3-[[4-[2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propan-1-ol;2-[[(1S,5R)-3-(5-propylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 157236831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).