3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole

C94H120FN25O2S6 — CID 160647510

About 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole

3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole (PubChem CID 160647510) has the molecular formula C94H120FN25O2S6 and a molecular weight of 1843.57 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole
• PubChem CID: 160647510
• Molecular Formula: C94H120FN25O2S6
• Molecular Weight: 1843.57 g/mol
• Exact Mass: 1841.84
• IUPAC Name: 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole
• SMILES: Cc1nnc(-c2cccc(-c3nsc(N4CCC(N5CCCCC5)CC4)n3)c2)o1.Fc1ccc(-c2nsc(N3CCC(N4CCCCC4)CC3)n2)cn1.O=c1cccnn1-c1nsc(N2CCC(N3CCCCC3)CC2)n1.c1cc(-c2nsc(N3CCC(N4CCCCC4)CC3)n2)cs1.c1ccc(-c2ccc(-c3nsc(N4CCC(N5CCCCC5)CC4)n3)cc2)cc1
• InChI: InChI=1S/C24H28N4S.C21H26N6OS.C17H22FN5S.C16H22N6OS.C16H22N4S2/c1-3-7-19(8-4-1)20-9-11-21(12-10-20)23-25-24(29-26-23)28-17-13-22(14-18-28)27-15-5-2-6-16-27;1-15-23-24-20(28-15)17-7-5-6-16(14-17)19-22-21(29-25-19)27-12-8-18(9-13-27)26-10-3-2-4-11-26;18-15-5-4-13(12-19-15)16-20-17(24-21-16)23-10-6-14(7-11-23)22-8-2-1-3-9-22;23-14-5-4-8-17-22(14)15-18-16(24-19-15)21-11-6-13(7-12-21)20-9-2-1-3-10-20;1-2-7-19(8-3-1)14-4-9-20(10-5-14)16-17-15(18-22-16)13-6-11-21-12-13/h1,3-4,7-12,22H,2,5-6,13-18H2;5-7,14,18H,2-4,8-13H2,1H3;4-5,12,14H,1-3,6-11H2;4-5,8,13H,1-3,6-7,9-12H2;6,11-12,14H,1-5,7-10H2
• InChIKey: RJZBCWCPVHYMTI-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 248.00 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.57
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole?

The IUPAC name of 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole (CID 160647510) is 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole.

What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole?

The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole is Cc1nnc(-c2cccc(-c3nsc(N4CCC(N5CCCCC5)CC4)n3)c2)o1.Fc1ccc(-c2nsc(N3CCC(N4CCCCC4)CC3)n2)cn1.O=c1cccnn1-c1nsc(N2CCC(N3CCCCC3)CC2)n1.c1cc(-c2nsc(N3CCC(N4CCCCC4)CC3)n2)cs1.c1ccc(-c2ccc(-c3nsc(N4CCC(N5CCCCC5)CC4)n3)cc2)cc1.

What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole?

The InChIKey is RJZBCWCPVHYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4S.C21H26N6OS.C17H22FN5S.C16H22N6OS.C16H22N4S2/c1-3-7-19(8-4-1)20-9-11-21(12-10-20)23-25-24(29-26-23)28-17-13-22(14-18-28)27-15-5-2-6-16-27;1-15-23-24-20(28-15)17-7-5-6-16(14-17)19-22-21(29-25-19)27-12-8-18(9-13-27)26-10-3-2-4-11-26;18-15-5-4-13(12-19-15)16-20-17(24-21-16)23-10-6-14(7-11-23)22-8-2-1-3-9-22;23-14-5-4-8-17-22(14)15-18-16(24-19-15)21-11-6-13(7-12-21)20-9-2-1-3-10-20;1-2-7-19(8-3-1)14-4-9-20(10-5-14)16-17-15(18-22-16)13-6-11-21-12-13/h1,3-4,7-12,22H,2,5-6,13-18H2;5-7,14,18H,2-4,8-13H2,1H3;4-5,12,14H,1-3,6-11H2;4-5,8,13H,1-3,6-7,9-12H2;6,11-12,14H,1-5,7-10H2.

What are the key properties of 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole?

3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole has a molecular weight of 1843.57 g/mol, XLogP of 17.80, 17 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-fluoro-3-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-methyl-5-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]phenyl]-1,3,4-oxadiazole;3-(4-phenylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole;2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]pyridazin-3-one;5-(4-piperidin-1-ylpiperidin-1-yl)-3-thiophen-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 160647510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).