3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one

C16H14N2O4S — CID 2890485

IUPAC3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C16H14N2O4S/c1-9(19)12-13(10-3-5-11(22-2)6-4-10)18(15(21)14(12)20)16-17-7-8-23-16/h3-8,13,20H,1-2H3
InChIKeyXGXKWSYTEPZKBY-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.64
Rot. Bonds4

About 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 2890485) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
PubChem CID2890485
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C16H14N2O4S/c1-9(19)12-13(10-3-5-11(22-2)6-4-10)18(15(21)14(12)20)16-17-7-8-23-16/h3-8,13,20H,1-2H3
InChIKeyXGXKWSYTEPZKBY-UHFFFAOYSA-N
XLogP2.64
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one (CID 2890485) is 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1.
What is the InChIKey of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is XGXKWSYTEPZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-9(19)12-13(10-3-5-11(22-2)6-4-10)18(15(21)14(12)20)16-17-7-8-23-16/h3-8,13,20H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 330.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 2890485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).