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

C22H16F3N3O4S — CID 108672835

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2cccnc2)s1
InChIInChI=1S/C22H16F3N3O4S/c1-11-20(33-12(2)27-11)18(29)16-17(13-5-4-8-26-10-13)28(21(31)19(16)30)14-6-3-7-15(9-14)32-22(23,24)25/h3-10,17,30H,1-2H3
InChIKeyHFORXYBJIMIRJW-UHFFFAOYSA-N
MW475.45 g/mol
LogP4.84
Rot. Bonds5

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 108672835) has the molecular formula C22H16F3N3O4S and a molecular weight of 475.45 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
PubChem CID108672835
Molecular FormulaC22H16F3N3O4S
Molecular Weight475.45 g/mol
Exact Mass475.08
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2cccnc2)s1
InChIInChI=1S/C22H16F3N3O4S/c1-11-20(33-12(2)27-11)18(29)16-17(13-5-4-8-26-10-13)28(21(31)19(16)30)14-6-3-7-15(9-14)32-22(23,24)25/h3-10,17,30H,1-2H3
InChIKeyHFORXYBJIMIRJW-UHFFFAOYSA-N
XLogP4.84
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 3-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673357
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108637644
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108673706
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108672831
methyl 3-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108665725
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677184
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxyphenyl)-1-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108675966
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584189
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-(3,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638234
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3727638
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625270

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one (CID 108672835) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(OC(F)(F)F)c3)C2c2cccnc2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is HFORXYBJIMIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4S/c1-11-20(33-12(2)27-11)18(29)16-17(13-5-4-8-26-10-13)28(21(31)19(16)30)14-6-3-7-15(9-14)32-22(23,24)25/h3-10,17,30H,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 475.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-3-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108672835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).