3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C22H19N3O4S — CID 108625878

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)C2c2ccccn2)cc1
InChIInChI=1S/C22H19N3O4S/c1-12-21(30-13(2)24-12)19(26)17-18(16-6-4-5-11-23-16)25(22(28)20(17)27)14-7-9-15(29-3)10-8-14/h4-11,18,27H,1-3H3
InChIKeyFKNOGAVJHQEZQD-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.95
Rot. Bonds5

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108625878) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108625878
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)C2c2ccccn2)cc1
InChIInChI=1S/C22H19N3O4S/c1-12-21(30-13(2)24-12)19(26)17-18(16-6-4-5-11-23-16)25(22(28)20(17)27)14-7-9-15(29-3)10-8-14/h4-11,18,27H,1-3H3
InChIKeyFKNOGAVJHQEZQD-UHFFFAOYSA-N
XLogP3.95
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625444
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625270
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598927
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626227
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 108594968
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108637644
4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 108697849
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108699118
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxyphenyl)-1-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108675966
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627357
1-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108723594
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-ethoxyphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108609454

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108625878) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one is COc1ccc(N2C(=O)C(O)=C(C(=O)c3sc(C)nc3C)C2c2ccccn2)cc1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is FKNOGAVJHQEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-12-21(30-13(2)24-12)19(26)17-18(16-6-4-5-11-23-16)25(22(28)20(17)27)14-7-9-15(29-3)10-8-14/h4-11,18,27H,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 421.48 g/mol, XLogP of 3.95, 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-1-(4-methoxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108625878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).