2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid

C12H11FN2O4S — CID 103791471

IUPAC2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CSCC1=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C12H11FN2O4S/c13-9-3-7(1-2-8(9)12(18)19)14-10(16)4-15-6-20-5-11(15)17/h1-3H,4-6H2,(H,14,16)(H,18,19)
InChIKeyCZDWURWOMUPGMW-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.00
Rot. Bonds4

About 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid

2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (PubChem CID 103791471) has the molecular formula C12H11FN2O4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
PubChem CID103791471
Molecular FormulaC12H11FN2O4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CSCC1=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C12H11FN2O4S/c13-9-3-7(1-2-8(9)12(18)19)14-10(16)4-15-6-20-5-11(15)17/h1-3H,4-6H2,(H,14,16)(H,18,19)
InChIKeyCZDWURWOMUPGMW-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512699
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 38465966
N-(3,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9096790
N-(6-amino-3-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119516443
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 42311249
2-fluoro-4-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 103925741
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9328678
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid (CID 103791471) is 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is O=C(CN1CSCC1=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
The InChIKey is CZDWURWOMUPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c13-9-3-7(1-2-8(9)12(18)19)14-10(16)4-15-6-20-5-11(15)17/h1-3H,4-6H2,(H,14,16)(H,18,19).
What are the key properties of 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid?
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 103791471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).