2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid

C11H9NO4S — CID 3108003

IUPAC2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(16)17-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
InChIKeyHBAJAVBPXWWMOM-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.73
Rot. Bonds3

About 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 3108003) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid
PubChem CID3108003
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(16)17-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
InChIKeyHBAJAVBPXWWMOM-UHFFFAOYSA-N
XLogP1.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-Dioxo-1-phenylazolidin-3-ylthio)propanoic acid
CID 2732737
3-Phenyl-2,4-thiazolidinedione
CID 221043
[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 661310
{[1-(3-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio}acetic acid
CID 2827720
3-[(2-Hydroxyethyl)thio]-1-phenyl-2,5-pyrrolidinedione
CID 2979343
2-[(2-Anilino-2-oxoethyl)thio]butanedioic acid
CID 4969701
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2827707
[1-(4-Fluoro-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2877333
[2-(Cycloheptylidene-hydrazono)-4-oxo-3-phenyl-thiazolidin-5-yl]-acetic acid
CID 6374050
4-(2-Anilino-2-oxoethyl)sulfanylbutanoic acid
CID 1811563
{[1-(4-Chlorophenyl)-2,5-dioxopyrrolidin-3-YL]thio}acetic acid
CID 2827715
2-((2,5-Dioxo-1-phenylpyrrolidin-3-yl)sulfanyl)acetic acid
CID 2732735

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid (CID 3108003) is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid is O=C(O)CC1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is HBAJAVBPXWWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-9(14)6-8-10(15)12(11(16)17-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14).
What are the key properties of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid?
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 251.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 3108003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).