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

C11H10N2O4S — CID 653574

IUPAC2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESCN1C(=O)SC(Nc2ccccc2C(=O)O)C1=O
InChIInChI=1S/C11H10N2O4S/c1-13-9(14)8(18-11(13)17)12-7-5-3-2-4-6(7)10(15)16/h2-5,8,12H,1H3,(H,15,16)
InChIKeyXVBCBEUDXRDOLG-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.45
Rot. Bonds3

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

2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid (PubChem CID 653574) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
PubChem CID653574
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
SMILESCN1C(=O)SC(Nc2ccccc2C(=O)O)C1=O
InChIInChI=1S/C11H10N2O4S/c1-13-9(14)8(18-11(13)17)12-7-5-3-2-4-6(7)10(15)16/h2-5,8,12H,1H3,(H,15,16)
InChIKeyXVBCBEUDXRDOLG-UHFFFAOYSA-N
XLogP1.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.45
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

2-((2-Carbamoylsulfanylacetyl)amino)benzoic acid
CID 224665
4-{[3-(2-Anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
CID 1810599
Ethyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate
CID 17420157
2-[2-(2-Oxo-benzothiazol-3-yl)-acetylamino]-benzoic acid
CID 650227
(Z)-2-(4-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoic acid
CID 1345035
2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
CID 1349447
Hirsutellic acid A
CID 11663650
Benzoic acid, p-(2-aminoacetamido)-(6CI,7CI,8CI)
CID 82005
3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid
CID 9795320
Methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
CID 2863741
2-(2-oxopyrrolidin-1-yl)benzoic Acid
CID 7130676
4-[2-(2,4-Dioxo-thiazolidin-3-yl)-acetylamino]-benzoic acid methyl ester
CID 648832

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The IUPAC name of 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid (CID 653574) is 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The canonical SMILES for 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid is CN1C(=O)SC(Nc2ccccc2C(=O)O)C1=O.
What is the InChIKey of 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
The InChIKey is XVBCBEUDXRDOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-13-9(14)8(18-11(13)17)12-7-5-3-2-4-6(7)10(15)16/h2-5,8,12H,1H3,(H,15,16).
What are the key properties of 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid?
2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid has a molecular weight of 266.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid is sourced from PubChem (CID 653574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).