6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one

C125H151ClF2N28O3S6 — CID 160812684

About 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one

6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one (PubChem CID 160812684) has the molecular formula C125H151ClF2N28O3S6 and a molecular weight of 2359.63 g/mol. Its IUPAC name is 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one
• PubChem CID: 160812684
• Molecular Formula: C125H151ClF2N28O3S6
• Molecular Weight: 2359.63 g/mol
• Exact Mass: 2357.05
• IUPAC Name: 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one
• SMILES: CC1CCCN(C2CCN(c3nc4cnc(-c5ccc(F)nc5)cc4s3)CC2)C1.CC1CCCN(C2CCN(c3nc4cnc(Cl)cc4s3)CC2)C1.Cn1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccc1=O.Fc1ncccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.O=c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c[nH]1.Oc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1
• InChI: InChI=1S/C22H26FN5S.C22H27N5OS.C22H26N4OS.C21H24FN5S.C21H25N5OS.C17H23ClN4S/c1-15-3-2-8-28(14-15)17-6-9-27(10-7-17)22-26-19-13-24-18(11-20(19)29-22)16-4-5-21(23)25-12-16;1-25-15-16(5-6-21(25)28)18-13-20-19(14-23-18)24-22(29-20)27-11-7-17(8-12-27)26-9-3-2-4-10-26;27-19-6-4-5-16(13-19)17-14-20-21(23-15-17)24-22(28-20)26-11-7-18(8-12-26)25-9-2-1-3-10-25;22-19-17(5-4-8-23-19)15-13-18-20(24-14-15)25-21(28-18)27-11-6-16(7-12-27)26-9-2-1-3-10-26;27-19-5-4-15(13-22-19)16-12-18-20(23-14-16)24-21(28-18)26-10-6-17(7-11-26)25-8-2-1-3-9-25;1-12-3-2-6-22(11-12)13-4-7-21(8-5-13)17-20-14-10-19-16(18)9-15(14)23-17/h4-5,11-13,15,17H,2-3,6-10,14H2,1H3;5-6,13-15,17H,2-4,7-12H2,1H3;4-6,13-15,18,27H,1-3,7-12H2;4-5,8,13-14,16H,1-3,6-7,9-12H2;4-5,12-14,17H,1-3,6-11H2,(H,22,27);9-10,12-13H,2-8,11H2,1H3
• InChIKey: SEMTTZKYOBAVPR-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 294.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.63
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one?

The IUPAC name of 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one (CID 160812684) is 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one.

What is the SMILES notation for 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one?

The canonical SMILES for 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one is CC1CCCN(C2CCN(c3nc4cnc(-c5ccc(F)nc5)cc4s3)CC2)C1.CC1CCCN(C2CCN(c3nc4cnc(Cl)cc4s3)CC2)C1.Cn1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccc1=O.Fc1ncccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1.O=c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c[nH]1.Oc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1.

What is the InChIKey of 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one?

The InChIKey is SEMTTZKYOBAVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5S.C22H27N5OS.C22H26N4OS.C21H24FN5S.C21H25N5OS.C17H23ClN4S/c1-15-3-2-8-28(14-15)17-6-9-27(10-7-17)22-26-19-13-24-18(11-20(19)29-22)16-4-5-21(23)25-12-16;1-25-15-16(5-6-21(25)28)18-13-20-19(14-23-18)24-22(29-20)27-11-7-17(8-12-27)26-9-3-2-4-10-26;27-19-6-4-5-16(13-19)17-14-20-21(23-15-17)24-22(28-20)26-11-7-18(8-12-26)25-9-2-1-3-10-25;22-19-17(5-4-8-23-19)15-13-18-20(24-14-15)25-21(28-18)27-11-6-16(7-12-27)26-9-2-1-3-10-26;27-19-5-4-15(13-22-19)16-12-18-20(23-14-16)24-21(28-18)26-10-6-17(7-11-26)25-8-2-1-3-9-25;1-12-3-2-6-22(11-12)13-4-7-21(8-5-13)17-20-14-10-19-16(18)9-15(14)23-17/h4-5,11-13,15,17H,2-3,6-10,14H2,1H3;5-6,13-15,17H,2-4,7-12H2,1H3;4-6,13-15,18,27H,1-3,7-12H2;4-5,8,13-14,16H,1-3,6-7,9-12H2;4-5,12-14,17H,1-3,6-11H2,(H,22,27);9-10,12-13H,2-8,11H2,1H3.

What are the key properties of 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one?

6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one has a molecular weight of 2359.63 g/mol, XLogP of 24.52, 17 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(6-fluoro-3-pyridinyl)-2-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine;6-(2-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;1-methyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridin-2-one;3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenol;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-1H-pyridin-2-one is sourced from PubChem (CID 160812684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).