5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole

C87H79F19N12O10S8 — CID 158623317

About 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole

5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole (PubChem CID 158623317) has the molecular formula C87H79F19N12O10S8 and a molecular weight of 2070.16 g/mol. Its IUPAC name is 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole
• PubChem CID: 158623317
• Molecular Formula: C87H79F19N12O10S8
• Molecular Weight: 2070.16 g/mol
• Exact Mass: 2068.35
• IUPAC Name: 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole
• SMILES: O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CCC(F)(F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](C(F)(F)F)C[C@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@H]2c2ccccc2)cc1F
• InChI: InChI=1S/2C22H20F5N3O3S2.C22H20F5N3O2S2.C21H19F4N3O2S2/c2*23-17-10-20(35(31,32)12-21-28-13-29-34-21)18(24)8-15(17)11-30-7-6-16(33-22(25,26)27)9-19(30)14-4-2-1-3-5-14;23-17-10-20(34(31,32)12-21-28-13-29-33-21)18(24)8-15(17)11-30-7-6-16(22(25,26)27)9-19(30)14-4-2-1-3-5-14;22-16-9-19(32(29,30)12-20-26-13-27-31-20)17(23)8-15(16)11-28-7-6-21(24,25)10-18(28)14-4-2-1-3-5-14/h2*1-5,8,10,13,16,19H,6-7,9,11-12H2;1-5,8,10,13,16,19H,6-7,9,11-12H2;1-5,8-9,13,18H,6-7,10-12H2/t16-,19+;2*16-,19-;18-/m0001/s1
• InChIKey: HYGRKZHKCDTEGU-LDZJDQFPSA-N
• XLogP: 20.13
• TPSA: 271.10 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.16
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole?

The IUPAC name of 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole (CID 158623317) is 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole.

What is the SMILES notation for 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole?

The canonical SMILES for 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole is O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CCC(F)(F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](C(F)(F)F)C[C@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@@H]2c2ccccc2)cc1F.O=S(=O)(Cc1ncns1)c1cc(F)c(CN2CC[C@H](OC(F)(F)F)C[C@H]2c2ccccc2)cc1F.

What is the InChIKey of 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole?

The InChIKey is HYGRKZHKCDTEGU-LDZJDQFPSA-N. The full InChI is InChI=1S/2C22H20F5N3O3S2.C22H20F5N3O2S2.C21H19F4N3O2S2/c2*23-17-10-20(35(31,32)12-21-28-13-29-34-21)18(24)8-15(17)11-30-7-6-16(33-22(25,26)27)9-19(30)14-4-2-1-3-5-14;23-17-10-20(34(31,32)12-21-28-13-29-33-21)18(24)8-15(17)11-30-7-6-16(22(25,26)27)9-19(30)14-4-2-1-3-5-14;22-16-9-19(32(29,30)12-20-26-13-27-31-20)17(23)8-15(16)11-28-7-6-21(24,25)10-18(28)14-4-2-1-3-5-14/h2*1-5,8,10,13,16,19H,6-7,9,11-12H2;1-5,8,10,13,16,19H,6-7,9,11-12H2;1-5,8-9,13,18H,6-7,10-12H2/t16-,19+;2*16-,19-;18-/m0001/s1.

What are the key properties of 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole?

5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole has a molecular weight of 2070.16 g/mol, XLogP of 20.13, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[(2R)-4,4-difluoro-2-phenylpiperidin-1-yl]methyl]-2,5-difluorophenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2R,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethoxy)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[2,5-difluoro-4-[[(2S,4S)-2-phenyl-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]sulfonylmethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 158623317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).