5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol

C87H112ClF3N24O4S4 — CID 162215672

About 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol

5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 162215672) has the molecular formula C87H112ClF3N24O4S4 and a molecular weight of 1778.73 g/mol. Its IUPAC name is 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

• Compound Name: 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol
• PubChem CID: 162215672
• Molecular Formula: C87H112ClF3N24O4S4
• Molecular Weight: 1778.73 g/mol
• Exact Mass: 1776.78
• IUPAC Name: 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol
• SMILES: CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)c(F)c2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CNc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(O)c2)n1
• InChI: InChI=1S/C23H28ClN5OS.C22H31N7OS.C21H26F2N6OS.C21H27FN6OS/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(30)25-13-15;1-21(2)12-15(13-22(3,4)27-21)28(6)20-25-24-19(31-20)16-8-7-14(11-17(16)30)29-10-9-18(23-5)26-29;1-20(2)7-12(8-21(3,4)28-20)29(5)19-27-26-18(31-19)15-14(30)6-13(16(22)17(15)23)11-9-24-25-10-11;1-20(2)8-14(9-21(3,4)27-20)28(5)19-26-25-18(30-19)17-15(22)6-12(7-16(17)29)13-10-23-24-11-13/h6-10,13,16,28H,11-12H2,1-5H3,(H,25,30);7-11,15,27,30H,12-13H2,1-6H3,(H,23,26);6,9-10,12,28,30H,7-8H2,1-5H3,(H,24,25);6-7,10-11,14,27,29H,8-9H2,1-5H3,(H,23,24)
• InChIKey: ZTKVZMWAGDBNOE-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 344.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1778.73
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol?

The IUPAC name of 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol (CID 162215672) is 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol.

What is the SMILES notation for 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol?

The canonical SMILES for 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol is CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)c(F)c2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2c(O)cc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccc(=O)[nH]c3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CNc1ccn(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(O)c2)n1.

What is the InChIKey of 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol?

The InChIKey is ZTKVZMWAGDBNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5OS.C22H31N7OS.C21H26F2N6OS.C21H27FN6OS/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)17-8-6-14(10-18(17)24)15-7-9-19(30)25-13-15;1-21(2)12-15(13-22(3,4)27-21)28(6)20-25-24-19(31-20)16-8-7-14(11-17(16)30)29-10-9-18(23-5)26-29;1-20(2)7-12(8-21(3,4)28-20)29(5)19-27-26-18(31-19)15-14(30)6-13(16(22)17(15)23)11-9-24-25-10-11;1-20(2)8-14(9-21(3,4)27-20)28(5)19-26-25-18(30-19)17-15(22)6-12(7-16(17)29)13-10-23-24-11-13/h6-10,13,16,28H,11-12H2,1-5H3,(H,25,30);7-11,15,27,30H,12-13H2,1-6H3,(H,23,26);6,9-10,12,28,30H,7-8H2,1-5H3,(H,24,25);6-7,10-11,14,27,29H,8-9H2,1-5H3,(H,23,24).

What are the key properties of 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol?

5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 1778.73 g/mol, XLogP of 17.35, 17 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one;3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol;5-[3-(methylamino)pyrazol-1-yl]-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 162215672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).