1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one

C20H12ClFN2O3S — CID 3583969

IUPAC1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C20H12ClFN2O3S/c21-12-3-7-14(8-4-12)24-16(11-1-5-13(22)6-2-11)15(18(26)20(24)27)17(25)19-23-9-10-28-19/h1-10,16,26H
InChIKeyZDNGURKQWZPSJA-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.72
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3583969) has the molecular formula C20H12ClFN2O3S and a molecular weight of 414.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3583969
Molecular FormulaC20H12ClFN2O3S
Molecular Weight414.85 g/mol
Exact Mass414.02
IUPAC Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C20H12ClFN2O3S/c21-12-3-7-14(8-4-12)24-16(11-1-5-13(22)6-2-11)15(18(26)20(24)27)17(25)19-23-9-10-28-19/h1-10,16,26H
InChIKeyZDNGURKQWZPSJA-UHFFFAOYSA-N
XLogP4.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
CID 3693538
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
1-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108674930
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679255
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108680100
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679342
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
1-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679235
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one (CID 3583969) is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(F)cc1)c1nccs1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is ZDNGURKQWZPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O3S/c21-12-3-7-14(8-4-12)24-16(11-1-5-13(22)6-2-11)15(18(26)20(24)27)17(25)19-23-9-10-28-19/h1-10,16,26H.
What are the key properties of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 414.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3583969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).