4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one

C31H28N2O5S — CID 108667193

IUPAC4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)C2c2ccccc2OC)c1
InChIInChI=1S/C31H28N2O5S/c1-4-17-38-22-14-10-13-21(18-22)33-26(23-15-8-9-16-24(23)37-3)25(28(35)31(33)36)27(34)29-19(2)32-30(39-29)20-11-6-5-7-12-20/h5-16,18,26,35H,4,17H2,1-3H3
InChIKeyFJIHJJBLSHCURP-UHFFFAOYSA-N
MW540.64 g/mol
LogP6.70
Rot. Bonds9

About 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108667193) has the molecular formula C31H28N2O5S and a molecular weight of 540.64 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID108667193
Molecular FormulaC31H28N2O5S
Molecular Weight540.64 g/mol
Exact Mass540.17
IUPAC Name4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)C2c2ccccc2OC)c1
InChIInChI=1S/C31H28N2O5S/c1-4-17-38-22-14-10-13-21(18-22)33-26(23-15-8-9-16-24(23)37-3)25(28(35)31(33)36)27(34)29-19(2)32-30(39-29)20-11-6-5-7-12-20/h5-16,18,26,35H,4,17H2,1-3H3
InChIKeyFJIHJJBLSHCURP-UHFFFAOYSA-N
XLogP6.70
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668054
1-(3,5-dimethylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108578835
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-phenyl-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 108595525
2-(4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108600735
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108615026
4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-1-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 108667167
1-(3-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108575456
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-1-(4-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108703916
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 5267460
4-hydroxy-2-(4-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108697765
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108579790
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677184

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 108667193) is 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)C2c2ccccc2OC)c1.
What is the InChIKey of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is FJIHJJBLSHCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5S/c1-4-17-38-22-14-10-13-21(18-22)33-26(23-15-8-9-16-24(23)37-3)25(28(35)31(33)36)27(34)29-19(2)32-30(39-29)20-11-6-5-7-12-20/h5-16,18,26,35H,4,17H2,1-3H3.
What are the key properties of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 540.64 g/mol, XLogP of 6.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108667193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).