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

C11H8ClNO4S — CID 51859703

IUPAC2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H8ClNO4S/c12-6-1-3-7(4-2-6)13-10(16)8(5-9(14)15)18-11(13)17/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1
InChIKeyDQZYRCPWEVAJNC-QMMMGPOBSA-N
MW285.71 g/mol
LogP2.38
Rot. Bonds3

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

2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 51859703) has the molecular formula C11H8ClNO4S and a molecular weight of 285.71 g/mol. Its IUPAC name is 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID51859703
Molecular FormulaC11H8ClNO4S
Molecular Weight285.71 g/mol
Exact Mass284.99
IUPAC Name2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H8ClNO4S/c12-6-1-3-7(4-2-6)13-10(16)8(5-9(14)15)18-11(13)17/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1
InChIKeyDQZYRCPWEVAJNC-QMMMGPOBSA-N
XLogP2.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(4-chlorophenyl)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 4860956
2-[[2-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]terephthalic acid
CID 43863974
2-[(5S)-3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859647
2-[(5S)-2-benzoylimino-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 9093366
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 2310898
3-(4-methylphenyl)-5-[3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]prop-2-enyl]-1,3-thiazolidine-2,4-dione
CID 23996183
2-[(5R)-3-(4-methoxyphenyl)-4-oxo-2-(2-oxopropylidene)-1,3-thiazolidin-5-yl]acetic acid
CID 7041647
5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 43844223
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 43829116
N-(2-hydroxy-5-methylphenyl)-2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 43864102
2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43826283

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid (CID 51859703) is 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is DQZYRCPWEVAJNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H8ClNO4S/c12-6-1-3-7(4-2-6)13-10(16)8(5-9(14)15)18-11(13)17/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid?
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 285.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 51859703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).