N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C13H15FN2O2S — CID 16546148

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c1-9(10-2-4-11(14)5-3-10)15-12(17)6-16-8-19-7-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyOQSXHURGGGPJFQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 16546148) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID16546148
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c1-9(10-2-4-11(14)5-3-10)15-12(17)6-16-8-19-7-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyOQSXHURGGGPJFQ-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 16546148) is N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is OQSXHURGGGPJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-9(10-2-4-11(14)5-3-10)15-12(17)6-16-8-19-7-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 16546148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).