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

C22H15Cl2FN2O3S — CID 108680648

IUPAC1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2c2ccccc2F)s1
InChIInChI=1S/C22H15Cl2FN2O3S/c1-10-21(31-11(2)26-10)19(28)17-18(15-5-3-4-6-16(15)25)27(22(30)20(17)29)14-8-12(23)7-13(24)9-14/h3-9,18,29H,1-2H3
InChIKeyVEWNUTCYLSNPLK-UHFFFAOYSA-N
MW477.34 g/mol
LogP5.99
Rot. Bonds4

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

1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108680648) has the molecular formula C22H15Cl2FN2O3S and a molecular weight of 477.34 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108680648
Molecular FormulaC22H15Cl2FN2O3S
Molecular Weight477.34 g/mol
Exact Mass476.02
IUPAC Name1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2c2ccccc2F)s1
InChIInChI=1S/C22H15Cl2FN2O3S/c1-10-21(31-11(2)26-10)19(28)17-18(15-5-3-4-6-16(15)25)27(22(30)20(17)29)14-8-12(23)7-13(24)9-14/h3-9,18,29H,1-2H3
InChIKeyVEWNUTCYLSNPLK-UHFFFAOYSA-N
XLogP5.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.34
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606504
1-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108680562
1-(3,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638234
1-(3,5-dichlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108680623
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584189
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2951588
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677184
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587403
3-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 7440765
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one
CID 4734455
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108680648) is 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2c2ccccc2F)s1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is VEWNUTCYLSNPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN2O3S/c1-10-21(31-11(2)26-10)19(28)17-18(15-5-3-4-6-16(15)25)27(22(30)20(17)29)14-8-12(23)7-13(24)9-14/h3-9,18,29H,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 477.34 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108680648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).