2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid

C11H12FNO4S — CID 63292959

IUPAC2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H12FNO4S/c12-9-3-2-8(10(6-9)11(14)15)7-13-4-1-5-18(13,16)17/h2-3,6H,1,4-5,7H2,(H,14,15)
InChIKeyMAWINKNSCKECAJ-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds3

About 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid

2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid (PubChem CID 63292959) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid
PubChem CID63292959
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CCCS1(=O)=O
InChIInChI=1S/C11H12FNO4S/c12-9-3-2-8(10(6-9)11(14)15)7-13-4-1-5-18(13,16)17/h2-3,6H,1,4-5,7H2,(H,14,15)
InChIKeyMAWINKNSCKECAJ-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid (CID 63292959) is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1CN1CCCS1(=O)=O.
What is the InChIKey of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid?
The InChIKey is MAWINKNSCKECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-9-3-2-8(10(6-9)11(14)15)7-13-4-1-5-18(13,16)17/h2-3,6H,1,4-5,7H2,(H,14,15).
What are the key properties of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid?
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid has a molecular weight of 273.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-5-fluorobenzoic acid is sourced from PubChem (CID 63292959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).