2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid

C11H9NO5S — CID 3132196

IUPAC2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=O)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H9NO5S/c13-7-3-1-6(2-4-7)12-10(16)8(5-9(14)15)18-11(12)17/h1-4,8,13H,5H2,(H,14,15)
InChIKeyJORLYHNABIENJM-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.44
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid

2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 3132196) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID3132196
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=O)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C11H9NO5S/c13-7-3-1-6(2-4-7)12-10(16)8(5-9(14)15)18-11(12)17/h1-4,8,13H,5H2,(H,14,15)
InChIKeyJORLYHNABIENJM-UHFFFAOYSA-N
XLogP1.44
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone
CID 210591
4-(4-Hydroxyanilino)-4-oxobutanoic acid
CID 605610
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(2-hydroxyphenyl)acetamide
CID 2905088
{2-[(4-Hydroxyphenyl)(methyl)amino]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetic acid
CID 2893049
{[1-(4-Methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetic acid
CID 2827718
{[1-(4-Ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}acetic acid
CID 2827725
[2-(4-Hydroxy-phenylimino)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 135412572
1-(4-Hydroxyphenyl)pyrrolidine-2,5-dione
CID 946468
2-[(2Z)-3-(4-methoxyphenyl)-4-oxo-2-(2-oxopropylidene)-1,3-thiazolidin-5-yl]acetic acid
CID 5742583
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(3-hydroxyphenyl)acetamide
CID 3775114
3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-hydroxyphenyl)pyrrole-2,5-dione
CID 46907105
1-(4-Hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3145397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (CID 3132196) is 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1SC(=O)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is JORLYHNABIENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c13-7-3-1-6(2-4-7)12-10(16)8(5-9(14)15)18-11(12)17/h1-4,8,13H,5H2,(H,14,15).
What are the key properties of 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 3132196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).