2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

C13H17NO4S — CID 3866950

IUPAC2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCO)c(OC)c1
InChIInChI=1S/C13H17NO4S/c1-17-9-3-4-10(11(7-9)18-2)13-14(5-6-15)12(16)8-19-13/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyCEMBLDKKXFJZFW-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.27
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one

2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (PubChem CID 3866950) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
PubChem CID3866950
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCO)c(OC)c1
InChIInChI=1S/C13H17NO4S/c1-17-9-3-4-10(11(7-9)18-2)13-14(5-6-15)12(16)8-19-13/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyCEMBLDKKXFJZFW-UHFFFAOYSA-N
XLogP1.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3857798
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one (CID 3866950) is 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCO)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is CEMBLDKKXFJZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-17-9-3-4-10(11(7-9)18-2)13-14(5-6-15)12(16)8-19-13/h3-4,7,13,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one?
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3866950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).