2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid

C13H15FN2O5S — CID 122109803

IUPAC2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CN2CCCS2(=O)=O)cc1F
InChIInChI=1S/C13H15FN2O5S/c14-11-7-10(3-2-9(11)6-13(18)19)15-12(17)8-16-4-1-5-22(16,20)21/h2-3,7H,1,4-6,8H2,(H,15,17)(H,18,19)
InChIKeyCVTWVWUTAAWDCZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid

2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid (PubChem CID 122109803) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid
PubChem CID122109803
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CN2CCCS2(=O)=O)cc1F
InChIInChI=1S/C13H15FN2O5S/c14-11-7-10(3-2-9(11)6-13(18)19)15-12(17)8-16-4-1-5-22(16,20)21/h2-3,7H,1,4-6,8H2,(H,15,17)(H,18,19)
InChIKeyCVTWVWUTAAWDCZ-UHFFFAOYSA-N
XLogP0.43
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid with MolForge

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Related Compounds

2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoyl]amino]-2-fluorophenyl]acetic acid
CID 122109770
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687768
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
CID 62023801
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 86998643
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 87019085
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87046483
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
5-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119127765

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid (CID 122109803) is 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CN2CCCS2(=O)=O)cc1F.
What is the InChIKey of 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid?
The InChIKey is CVTWVWUTAAWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c14-11-7-10(3-2-9(11)6-13(18)19)15-12(17)8-16-4-1-5-22(16,20)21/h2-3,7H,1,4-6,8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid?
2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).