3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

C23H18F3N3O3S — CID 108692982

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2c2ccncc2)s1
InChIInChI=1S/C23H18F3N3O3S/c1-12-21(33-13(2)28-12)19(30)17-18(15-6-8-27-9-7-15)29(22(32)20(17)31)11-14-4-3-5-16(10-14)23(24,25)26/h3-10,18,31H,11H2,1-2H3
InChIKeyKERAGUNBWJNPHL-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.95
Rot. Bonds5

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (PubChem CID 108692982) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
PubChem CID108692982
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2c2ccncc2)s1
InChIInChI=1S/C23H18F3N3O3S/c1-12-21(33-13(2)28-12)19(30)17-18(15-6-8-27-9-7-15)29(22(32)20(17)31)11-14-4-3-5-16(10-14)23(24,25)26/h3-10,18,31H,11H2,1-2H3
InChIKeyKERAGUNBWJNPHL-UHFFFAOYSA-N
XLogP4.95
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108576722
4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
CID 108692960
1-benzyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735711
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethylphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4735421
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108601831
1-benzyl-2-(2,6-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735775
2-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7182748
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631893
1-benzyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4735724
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635397
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108693156
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-pentoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4735434

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (CID 108692982) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2c2ccncc2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
The InChIKey is KERAGUNBWJNPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c1-12-21(33-13(2)28-12)19(30)17-18(15-6-8-27-9-7-15)29(22(32)20(17)31)11-14-4-3-5-16(10-14)23(24,25)26/h3-10,18,31H,11H2,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one has a molecular weight of 473.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108692982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).