2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one

C17H21FN2O2S — CID 24712118

IUPAC2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2F)N(CCC(=O)N2CCCC2)C1=O
InChIInChI=1S/C17H21FN2O2S/c1-12-16(22)20(11-8-15(21)19-9-4-5-10-19)17(23-12)13-6-2-3-7-14(13)18/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyNRVLBJOBMJHYCU-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one

2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 24712118) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID24712118
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2F)N(CCC(=O)N2CCCC2)C1=O
InChIInChI=1S/C17H21FN2O2S/c1-12-16(22)20(11-8-15(21)19-9-4-5-10-19)17(23-12)13-6-2-3-7-14(13)18/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyNRVLBJOBMJHYCU-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one 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 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one (CID 24712118) is 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one is CC1SC(c2ccccc2F)N(CCC(=O)N2CCCC2)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is NRVLBJOBMJHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-12-16(22)20(11-8-15(21)19-9-4-5-10-19)17(23-12)13-6-2-3-7-14(13)18/h2-3,6-7,12,17H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 336.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).