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

C22H26N2O5S — CID 4735123

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCOC
InChIInChI=1S/C22H26N2O5S/c1-5-11-29-16-9-7-6-8-15(16)18-17(19(25)21-13(2)23-14(3)30-21)20(26)22(27)24(18)10-12-28-4/h6-9,18,26H,5,10-12H2,1-4H3
InChIKeyRMYSUYSZZZASPU-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.77
Rot. Bonds9

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 4735123) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID4735123
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCOC
InChIInChI=1S/C22H26N2O5S/c1-5-11-29-16-9-7-6-8-15(16)18-17(19(25)21-13(2)23-14(3)30-21)20(26)22(27)24(18)10-12-28-4/h6-9,18,26H,5,10-12H2,1-4H3
InChIKeyRMYSUYSZZZASPU-UHFFFAOYSA-N
XLogP3.77
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
CID 4735355
1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735388
2-(4-butoxy-3-methoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4735076
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108636209
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795576
4-hydroxy-1-(2-methoxyethyl)-2-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108650503
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-propoxyphenyl)-2H-pyrrol-5-one
CID 4734827
prop-2-enyl 2-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(2-propoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4733673
(2S)-1-[2-(diethylamino)ethyl]-2-(2,3-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 28685644
2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 4735106
2-(2-butoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one
CID 4734668
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108615026

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one (CID 4735123) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCOC.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is RMYSUYSZZZASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-5-11-29-16-9-7-6-8-15(16)18-17(19(25)21-13(2)23-14(3)30-21)20(26)22(27)24(18)10-12-28-4/h6-9,18,26H,5,10-12H2,1-4H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 430.53 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4735123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).