2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid

C10H8N2O4S — CID 2930132

IUPAC2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESO=C1NC(=O)C(Nc2ccccc2C(=O)O)S1
InChIInChI=1S/C10H8N2O4S/c13-7-8(17-10(16)12-7)11-6-4-2-1-3-5(6)9(14)15/h1-4,8,11H,(H,14,15)(H,12,13,16)
InChIKeyVQTCTUOHTJTVCO-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.11
Rot. Bonds3

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

2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid (PubChem CID 2930132) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
PubChem CID2930132
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESO=C1NC(=O)C(Nc2ccccc2C(=O)O)S1
InChIInChI=1S/C10H8N2O4S/c13-7-8(17-10(16)12-7)11-6-4-2-1-3-5(6)9(14)15/h1-4,8,11H,(H,14,15)(H,12,13,16)
InChIKeyVQTCTUOHTJTVCO-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4,6-trioxo-1,3-diazinan-5-yl)amino]benzoic acid
CID 121006029
2-[[(5S)-3-(2-chloroethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 42416046
CID 66717184
CID 66717184
2-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
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2-[(3-phenylcyclobutyl)amino]benzoic acid
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2-hydrazinylbenzoic acid;hydron;chloride
CID 51064113
1-carboxy-2-(sulfinatoamino)benzene
CID 22718755
CID 170843062
CID 170843062
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
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2-(cyclohex-2-en-1-ylamino)benzoic acid
CID 56648257

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The IUPAC name of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid (CID 2930132) is 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid is O=C1NC(=O)C(Nc2ccccc2C(=O)O)S1.
What is the InChIKey of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The InChIKey is VQTCTUOHTJTVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-7-8(17-10(16)12-7)11-6-4-2-1-3-5(6)9(14)15/h1-4,8,11H,(H,14,15)(H,12,13,16).
What are the key properties of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid has a molecular weight of 252.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid is sourced from PubChem (CID 2930132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).