tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine

C129H165F4N31O5S6 — CID 160956104

About tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine

tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 160956104) has the molecular formula C129H165F4N31O5S6 and a molecular weight of 2498.34 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine
• PubChem CID: 160956104
• Molecular Formula: C129H165F4N31O5S6
• Molecular Weight: 2498.34 g/mol
• Exact Mass: 2496.19
• IUPAC Name: tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)CC1.CN1CCN(c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)C1=O.Cn1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.FC(F)(F)Oc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1.Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.O=C1CCN1c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1
• InChI: InChI=1S/C26H37N5O2S.C23H25F3N4OS.C21H24FN5S.C20H28N6OS.C20H26N6S.C19H25N5OS/c1-26(2,3)33-25(32)31-13-7-19(8-14-31)21-17-23-22(18-27-21)28-24(34-23)30-15-9-20(10-16-30)29-11-5-4-6-12-29;24-23(25,26)31-19-6-4-16(5-7-19)17-14-20-21(27-15-17)28-22(32-20)30-12-8-18(9-13-30)29-10-2-1-3-11-29;22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26;1-23-11-12-26(20(23)27)18-13-17-16(14-21-18)22-19(28-17)25-9-5-15(6-10-25)24-7-3-2-4-8-24;1-24-14-16(13-22-24)15-11-18-19(21-12-15)23-20(27-18)26-9-5-17(6-10-26)25-7-3-2-4-8-25;25-18-6-11-24(18)17-12-16-15(13-20-17)21-19(26-16)23-9-4-14(5-10-23)22-7-2-1-3-8-22/h7,17-18,20H,4-6,8-16H2,1-3H3;4-7,14-15,18H,1-3,8-13H2;4-5,12-14,17H,1-3,6-11H2;13-15H,2-12H2,1H3;11-14,17H,2-10H2,1H3;12-14H,1-11H2
• InChIKey: SWKFIYDNDKOYFY-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 306.90 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 19
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2498.34
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine?

The IUPAC name of tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine (CID 160956104) is tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine.

What is the SMILES notation for tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine?

The canonical SMILES for tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine is CC(C)(C)OC(=O)N1CC=C(c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)CC1.CN1CCN(c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)C1=O.Cn1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.FC(F)(F)Oc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1.Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.O=C1CCN1c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1.

What is the InChIKey of tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine?

The InChIKey is SWKFIYDNDKOYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2S.C23H25F3N4OS.C21H24FN5S.C20H28N6OS.C20H26N6S.C19H25N5OS/c1-26(2,3)33-25(32)31-13-7-19(8-14-31)21-17-23-22(18-27-21)28-24(34-23)30-15-9-20(10-16-30)29-11-5-4-6-12-29;24-23(25,26)31-19-6-4-16(5-7-19)17-14-20-21(27-15-17)28-22(32-20)30-12-8-18(9-13-30)29-10-2-1-3-11-29;22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26;1-23-11-12-26(20(23)27)18-13-17-16(14-21-18)22-19(28-17)25-9-5-15(6-10-25)24-7-3-2-4-8-24;1-24-14-16(13-22-24)15-11-18-19(21-12-15)23-20(27-18)26-9-5-17(6-10-26)25-7-3-2-4-8-25;25-18-6-11-24(18)17-12-16-15(13-20-17)21-19(26-16)23-9-4-14(5-10-23)22-7-2-1-3-8-22/h7,17-18,20H,4-6,8-16H2,1-3H3;4-7,14-15,18H,1-3,8-13H2;4-5,12-14,17H,1-3,6-11H2;13-15H,2-12H2,1H3;11-14,17H,2-10H2,1H3;12-14H,1-11H2.

What are the key properties of tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine?

tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 2498.34 g/mol, XLogP of 24.68, 19 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazolidin-2-one;6-(1-methylpyrazol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]azetidin-2-one;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 160956104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).