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

C13H14F2N2O2S — CID 18170235

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2S/c1-8(10-3-2-9(14)4-11(10)15)16-12(18)5-17-7-20-6-13(17)19/h2-4,8H,5-7H2,1H3,(H,16,18)
InChIKeyHAKJBANKGDRJCI-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.67
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18170235) has the molecular formula C13H14F2N2O2S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18170235
Molecular FormulaC13H14F2N2O2S
Molecular Weight300.33 g/mol
Exact Mass300.07
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O2S/c1-8(10-3-2-9(14)4-11(10)15)16-12(18)5-17-7-20-6-13(17)19/h2-4,8H,5-7H2,1H3,(H,16,18)
InChIKeyHAKJBANKGDRJCI-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18170235) is N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(NC(=O)CN1CSCC1=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is HAKJBANKGDRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2S/c1-8(10-3-2-9(14)4-11(10)15)16-12(18)5-17-7-20-6-13(17)19/h2-4,8H,5-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18170235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).