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

C25H30F3N5O3S — CID 172711628

IUPAC4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one
SMILESCN(c1nnc(-c2c(O)cc(OC(F)(F)F)cc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C25H30F3N5O3S/c1-23(2)8-6-9-24(3,4)33(23)32(5)22-31-30-21(37-22)20-16(11-15-7-10-29-19(35)12-15)13-17(14-18(20)34)36-25(26,27)28/h7,10,12-14,34H,6,8-9,11H2,1-5H3,(H,29,35)
InChIKeyFIBUVHVZIQZTFQ-UHFFFAOYSA-N
MW537.61 g/mol
LogP5.48
Rot. Bonds6

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

4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one (PubChem CID 172711628) has the molecular formula C25H30F3N5O3S and a molecular weight of 537.61 g/mol. Its IUPAC name is 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one
PubChem CID172711628
Molecular FormulaC25H30F3N5O3S
Molecular Weight537.61 g/mol
Exact Mass537.20
IUPAC Name4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one
SMILESCN(c1nnc(-c2c(O)cc(OC(F)(F)F)cc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C25H30F3N5O3S/c1-23(2)8-6-9-24(3,4)33(23)32(5)22-31-30-21(37-22)20-16(11-15-7-10-29-19(35)12-15)13-17(14-18(20)34)36-25(26,27)28/h7,10,12-14,34H,6,8-9,11H2,1-5H3,(H,29,35)
InChIKeyFIBUVHVZIQZTFQ-UHFFFAOYSA-N
XLogP5.48
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-Methyl-4-[4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 90282435
4-[3-Hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methylpyridin-2-one
CID 136611481
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
3-[3-Hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]-1-methylpyridin-2-one
CID 159512949
4-[3-(1,1-Difluoroethoxy)-5-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one
CID 162614489
1-Methyl-4-[4-[5-[methyl-(2,2,6-trimethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 162619542
5-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
CID 172695603
4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
CID 172770572
4-[[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]-1H-pyridin-2-one
CID 172809914
5-[3-methoxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1H-pyridin-2-one
CID 172845812

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one (CID 172711628) is 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one is CN(c1nnc(-c2c(O)cc(OC(F)(F)F)cc2Cc2cc[nH]c(=O)c2)s1)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one?
The InChIKey is FIBUVHVZIQZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O3S/c1-23(2)8-6-9-24(3,4)33(23)32(5)22-31-30-21(37-22)20-16(11-15-7-10-29-19(35)12-15)13-17(14-18(20)34)36-25(26,27)28/h7,10,12-14,34H,6,8-9,11H2,1-5H3,(H,29,35).
What are the key properties of 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one?
4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one has a molecular weight of 537.61 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(trifluoromethoxy)phenyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 172711628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).