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

C24H20ClFN2O3S — CID 108694932

IUPAC2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)C2c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H20ClFN2O3S/c1-13-23(32-14(2)27-13)21(29)19-20(16-5-7-17(25)8-6-16)28(24(31)22(19)30)12-11-15-3-9-18(26)10-4-15/h3-10,20,30H,11-12H2,1-2H3
InChIKeyRTEYZWKSENVAEK-UHFFFAOYSA-N
MW470.95 g/mol
LogP5.37
Rot. Bonds6

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

2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108694932) has the molecular formula C24H20ClFN2O3S and a molecular weight of 470.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID108694932
Molecular FormulaC24H20ClFN2O3S
Molecular Weight470.95 g/mol
Exact Mass470.09
IUPAC Name2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)C2c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H20ClFN2O3S/c1-13-23(32-14(2)27-13)21(29)19-20(16-5-7-17(25)8-6-16)28(24(31)22(19)30)12-11-15-3-9-18(26)10-4-15/h3-10,20,30H,11-12H2,1-2H3
InChIKeyRTEYZWKSENVAEK-UHFFFAOYSA-N
XLogP5.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.95
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108694933
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 108601831
2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one
CID 44848877
1-benzyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735711
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594360
2-(2,4-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4735679
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
2-[4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2H-pyrrol-2-yl]phenoxy]acetamide
CID 4735694
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108694911
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108695012
2-(4-tert-butylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108620896
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-naphthalen-1-yl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4735685

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one (CID 108694932) is 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCc3ccc(F)cc3)C2c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RTEYZWKSENVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O3S/c1-13-23(32-14(2)27-13)21(29)19-20(16-5-7-17(25)8-6-16)28(24(31)22(19)30)12-11-15-3-9-18(26)10-4-15/h3-10,20,30H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one?
2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 470.95 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108694932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).