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

C22H18FN3O3S — CID 108631893

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2cccnc2)s1
InChIInChI=1S/C22H18FN3O3S/c1-12-21(30-13(2)25-12)19(27)17-18(15-4-3-9-24-10-15)26(22(29)20(17)28)11-14-5-7-16(23)8-6-14/h3-10,18,28H,11H2,1-2H3
InChIKeyAQIKQPUXEAXHKA-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.07
Rot. Bonds5

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108631893) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108631893
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2cccnc2)s1
InChIInChI=1S/C22H18FN3O3S/c1-12-21(30-13(2)25-12)19(27)17-18(15-4-3-9-24-10-15)26(22(29)20(17)28)11-14-5-7-16(23)8-6-14/h3-10,18,28H,11H2,1-2H3
InChIKeyAQIKQPUXEAXHKA-UHFFFAOYSA-N
XLogP4.07
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-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)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108601831
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)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 4735490
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
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592186
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)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108696122
(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 6996950
2-(4-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108643009
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-pentoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4735434
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108576722

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 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) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccc(F)cc3)C2c2cccnc2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is AQIKQPUXEAXHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-12-21(30-13(2)25-12)19(27)17-18(15-4-3-9-24-10-15)26(22(29)20(17)28)11-14-5-7-16(23)8-6-14/h3-10,18,28H,11H2,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 423.47 g/mol, XLogP of 4.07, 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)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108631893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).