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

C13H14FNO3S — CID 23764243

IUPACethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3S/c1-2-18-12(17)7-15-11(16)8-19-13(15)9-3-5-10(14)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyMQTWIRSVVWHKCD-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.96
Rot. Bonds4

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

ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate (PubChem CID 23764243) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
PubChem CID23764243
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Nameethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C13H14FNO3S/c1-2-18-12(17)7-15-11(16)8-19-13(15)9-3-5-10(14)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyMQTWIRSVVWHKCD-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate (CID 23764243) is ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The InChIKey is MQTWIRSVVWHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-2-18-12(17)7-15-11(16)8-19-13(15)9-3-5-10(14)6-4-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate has a molecular weight of 283.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 23764243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).