2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid

C11H9FN2O4S — CID 43442838

IUPAC2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESO=C1NC(C(=O)Nc2cccc(F)c2C(=O)O)CS1
InChIInChI=1S/C11H9FN2O4S/c12-5-2-1-3-6(8(5)10(16)17)13-9(15)7-4-19-11(18)14-7/h1-3,7H,4H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLPLDSIDDEXELHE-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.29
Rot. Bonds3

About 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid

2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid (PubChem CID 43442838) has the molecular formula C11H9FN2O4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
PubChem CID43442838
Molecular FormulaC11H9FN2O4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESO=C1NC(C(=O)Nc2cccc(F)c2C(=O)O)CS1
InChIInChI=1S/C11H9FN2O4S/c12-5-2-1-3-6(8(5)10(16)17)13-9(15)7-4-19-11(18)14-7/h1-3,7H,4H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLPLDSIDDEXELHE-UHFFFAOYSA-N
XLogP1.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 54963556
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
4-chloro-3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43096493
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid (CID 43442838) is 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid is O=C1NC(C(=O)Nc2cccc(F)c2C(=O)O)CS1.
What is the InChIKey of 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The InChIKey is LPLDSIDDEXELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S/c12-5-2-1-3-6(8(5)10(16)17)13-9(15)7-4-19-11(18)14-7/h1-3,7H,4H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid has a molecular weight of 284.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43442838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).