6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole

C156H170FN27O18S11 — CID 162117573

About 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole

6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole (PubChem CID 162117573) has the molecular formula C156H170FN27O18S11 and a molecular weight of 3082.98 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole.

Molecular Properties

• Compound Name: 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole
• PubChem CID: 162117573
• Molecular Formula: C156H170FN27O18S11
• Molecular Weight: 3082.98 g/mol
• Exact Mass: 3080.01
• IUPAC Name: 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole
• SMILES: CCCc1cnc(N2CC(COc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5ccc(F)nc5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5cccc(NS(=O)(=O)CCCCO)c5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5cccc(NS(=O)(=O)CCCO)c5)cc4s3)CC2)nc1.CCCc1cnc(N2CC[C@@H](Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1.CCCc1cnc(N2CC[C@H](Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1
• InChI: InChI=1S/C29H35N5O4S2.C28H33N5O4S2.3C25H26N4O3S2.C24H24FN5OS/c1-2-6-21-19-30-28(31-20-21)34-13-11-25(12-14-34)38-29-32-26-10-9-23(18-27(26)39-29)22-7-5-8-24(17-22)33-40(36,37)16-4-3-15-35;1-2-5-20-18-29-27(30-19-20)33-12-10-24(11-13-33)37-28-31-25-9-8-22(17-26(25)38-28)21-6-3-7-23(16-21)32-39(35,36)15-4-14-34;1-3-4-17-12-26-24(27-13-17)29-14-18(15-29)16-32-25-28-22-10-7-20(11-23(22)33-25)19-5-8-21(9-6-19)34(2,30)31;2*1-3-4-17-14-26-24(27-15-17)29-12-11-20(16-29)32-25-28-22-10-7-19(13-23(22)33-25)18-5-8-21(9-6-18)34(2,30)31;1-2-3-16-13-27-23(28-14-16)30-10-8-19(9-11-30)31-24-29-20-6-4-17(12-21(20)32-24)18-5-7-22(25)26-15-18/h5,7-10,17-20,25,33,35H,2-4,6,11-16H2,1H3;3,6-9,16-19,24,32,34H,2,4-5,10-15H2,1H3;5-13,18H,3-4,14-16H2,1-2H3;2*5-10,13-15,20H,3-4,11-12,16H2,1-2H3;4-7,12-15,19H,2-3,8-11H2,1H3/t;;;2*20-;/m...10./s1
• InChIKey: ZGYYBCMQSSBCBV-QSGVIMGLSA-N
• XLogP: 29.59
• TPSA: 554.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 49
• Rotatable Bonds: 51
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3082.98
LogP ≤ 5	29.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole?

The IUPAC name of 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole (CID 162117573) is 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole.

What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole?

The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole is CCCc1cnc(N2CC(COc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5ccc(F)nc5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5cccc(NS(=O)(=O)CCCCO)c5)cc4s3)CC2)nc1.CCCc1cnc(N2CCC(Oc3nc4ccc(-c5cccc(NS(=O)(=O)CCCO)c5)cc4s3)CC2)nc1.CCCc1cnc(N2CC[C@@H](Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1.CCCc1cnc(N2CC[C@H](Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)C2)nc1.

What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole?

The InChIKey is ZGYYBCMQSSBCBV-QSGVIMGLSA-N. The full InChI is InChI=1S/C29H35N5O4S2.C28H33N5O4S2.3C25H26N4O3S2.C24H24FN5OS/c1-2-6-21-19-30-28(31-20-21)34-13-11-25(12-14-34)38-29-32-26-10-9-23(18-27(26)39-29)22-7-5-8-24(17-22)33-40(36,37)16-4-3-15-35;1-2-5-20-18-29-27(30-19-20)33-12-10-24(11-13-33)37-28-31-25-9-8-22(17-26(25)38-28)21-6-3-7-23(16-21)32-39(35,36)15-4-14-34;1-3-4-17-12-26-24(27-13-17)29-14-18(15-29)16-32-25-28-22-10-7-20(11-23(22)33-25)19-5-8-21(9-6-19)34(2,30)31;2*1-3-4-17-14-26-24(27-15-17)29-12-11-20(16-29)32-25-28-22-10-7-19(13-23(22)33-25)18-5-8-21(9-6-18)34(2,30)31;1-2-3-16-13-27-23(28-14-16)30-10-8-19(9-11-30)31-24-29-20-6-4-17(12-21(20)32-24)18-5-7-22(25)26-15-18/h5,7-10,17-20,25,33,35H,2-4,6,11-16H2,1H3;3,6-9,16-19,24,32,34H,2,4-5,10-15H2,1H3;5-13,18H,3-4,14-16H2,1-2H3;2*5-10,13-15,20H,3-4,11-12,16H2,1-2H3;4-7,12-15,19H,2-3,8-11H2,1H3/t;;;2*20-;/m...10./s1.

What are the key properties of 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole?

6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole has a molecular weight of 3082.98 g/mol, XLogP of 29.59, 51 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-fluoro-3-pyridinyl)-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole;4-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]butane-1-sulfonamide;3-hydroxy-N-[3-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]phenyl]propane-1-sulfonamide;6-(4-methylsulfonylphenyl)-2-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3S)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole;6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole is sourced from PubChem (CID 162117573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).