5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid

C21H22FNO5S — CID 175161522

IUPAC5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid
SMILESCCc1cc(C(=O)O)c(OCCO)c(C)c1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO5S/c1-3-13-10-16(21(26)27)19(28-9-8-24)12(2)18(13)23-17(25)11-29-20(23)14-4-6-15(22)7-5-14/h4-7,10,20,24H,3,8-9,11H2,1-2H3,(H,26,27)
InChIKeyRCPIUIOTNSUMHA-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.54
Rot. Bonds7

About 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid

5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid (PubChem CID 175161522) has the molecular formula C21H22FNO5S and a molecular weight of 419.47 g/mol. Its IUPAC name is 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid
PubChem CID175161522
Molecular FormulaC21H22FNO5S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC Name5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid
SMILESCCc1cc(C(=O)O)c(OCCO)c(C)c1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO5S/c1-3-13-10-16(21(26)27)19(28-9-8-24)12(2)18(13)23-17(25)11-29-20(23)14-4-6-15(22)7-5-14/h4-7,10,20,24H,3,8-9,11H2,1-2H3,(H,26,27)
InChIKeyRCPIUIOTNSUMHA-UHFFFAOYSA-N
XLogP3.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid 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 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid?
The IUPAC name of 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid (CID 175161522) is 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid.
What is the SMILES notation for 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid?
The canonical SMILES for 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid is CCc1cc(C(=O)O)c(OCCO)c(C)c1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid?
The InChIKey is RCPIUIOTNSUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5S/c1-3-13-10-16(21(26)27)19(28-9-8-24)12(2)18(13)23-17(25)11-29-20(23)14-4-6-15(22)7-5-14/h4-7,10,20,24H,3,8-9,11H2,1-2H3,(H,26,27).
What are the key properties of 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid?
5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid has a molecular weight of 419.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-hydroxyethoxy)-3-methylbenzoic acid is sourced from PubChem (CID 175161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).