4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol

C25H32F3N5O3S — CID 166727443

About 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol

4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol (PubChem CID 166727443) has the molecular formula C25H32F3N5O3S and a molecular weight of 539.62 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol.

Molecular Properties

• Compound Name: 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol
• PubChem CID: 166727443
• Molecular Formula: C25H32F3N5O3S
• Molecular Weight: 539.62 g/mol
• Exact Mass: 539.22
• IUPAC Name: 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol
• SMILES: CN1C=CC(c2cc(O)c(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC(F)(F)F)c2)=CC1O
• InChI: InChI=1S/C25H32F3N5O3S/c1-23(2)12-16(13-24(3,4)31-23)33(6)22-30-29-21(37-22)20-17(34)9-15(10-18(20)36-25(26,27)28)14-7-8-32(5)19(35)11-14/h7-11,16,19,31,34-35H,12-13H2,1-6H3
• InChIKey: IYUXOJVWIXKIGW-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 93.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.62
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol?

The IUPAC name of 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol (CID 166727443) is 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol.

What is the SMILES notation for 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol?

The canonical SMILES for 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol is CN1C=CC(c2cc(O)c(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC(F)(F)F)c2)=CC1O.

What is the InChIKey of 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol?

The InChIKey is IYUXOJVWIXKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O3S/c1-23(2)12-16(13-24(3,4)31-23)33(6)22-30-29-21(37-22)20-17(34)9-15(10-18(20)36-25(26,27)28)14-7-8-32(5)19(35)11-14/h7-11,16,19,31,34-35H,12-13H2,1-6H3.

What are the key properties of 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol?

4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol has a molecular weight of 539.62 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 166727443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).