5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one

C20H21FN2O2S — CID 87413550

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1NC(=O)C(Cc2ccc(OCCc3ccc(CC)cn3)c(F)c2)S1
InChIInChI=1S/C20H21FN2O2S/c1-3-14-4-6-16(22-12-14)8-9-25-18-7-5-15(10-17(18)21)11-19-20(24)23-13(2)26-19/h4-7,10,12,19H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyNWDAZNBZGINQTM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.65
Rot. Bonds7

About 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one

5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 87413550) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID87413550
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1NC(=O)C(Cc2ccc(OCCc3ccc(CC)cn3)c(F)c2)S1
InChIInChI=1S/C20H21FN2O2S/c1-3-14-4-6-16(22-12-14)8-9-25-18-7-5-15(10-17(18)21)11-19-20(24)23-13(2)26-19/h4-7,10,12,19H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyNWDAZNBZGINQTM-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-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 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one (CID 87413550) is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one is C=C1NC(=O)C(Cc2ccc(OCCc3ccc(CC)cn3)c(F)c2)S1.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is NWDAZNBZGINQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-3-14-4-6-16(22-12-14)8-9-25-18-7-5-15(10-17(18)21)11-19-20(24)23-13(2)26-19/h4-7,10,12,19H,2-3,8-9,11H2,1H3,(H,23,24).
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 372.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]-3-fluorophenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 87413550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).