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

C20H12Cl2N2O3S — CID 3693538

IUPAC1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1)c1nccs1
InChIInChI=1S/C20H12Cl2N2O3S/c21-12-3-1-11(2-4-12)16-15(17(25)19-23-9-10-28-19)18(26)20(27)24(16)14-7-5-13(22)6-8-14/h1-10,16,26H
InChIKeyZGVGVOFPWPRKQS-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.23
Rot. Bonds4

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

1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3693538) has the molecular formula C20H12Cl2N2O3S and a molecular weight of 431.30 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3693538
Molecular FormulaC20H12Cl2N2O3S
Molecular Weight431.30 g/mol
Exact Mass429.99
IUPAC Name1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1)c1nccs1
InChIInChI=1S/C20H12Cl2N2O3S/c21-12-3-1-11(2-4-12)16-15(17(25)19-23-9-10-28-19)18(26)20(27)24(16)14-7-5-13(22)6-8-14/h1-10,16,26H
InChIKeyZGVGVOFPWPRKQS-UHFFFAOYSA-N
XLogP5.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
CID 3583969
1-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108674930
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
1-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639001
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638973
ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54739891
(2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700013
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700028
1-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633351
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-2-yl-2H-pyrrol-5-one
CID 7082696
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one (CID 3693538) is 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1,2-bis(4-chlorophenyl)-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(Cl)cc1)c1nccs1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is ZGVGVOFPWPRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O3S/c21-12-3-1-11(2-4-12)16-15(17(25)19-23-9-10-28-19)18(26)20(27)24(16)14-7-5-13(22)6-8-14/h1-10,16,26H.
What are the key properties of 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one?
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 431.30 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)-4-hydroxy-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3693538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).