4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

C19H18N2O4S — CID 19391011

IUPAC4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCC(=O)c1ccc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C19H18N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)26-19(24)21-17/h2-7,11,17H,8-10H2,1H3,(H,21,24)
InChIKeyMVKJUXPWIBFHJL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.80
Rot. Bonds7

About 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione

4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 19391011) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID19391011
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCC(=O)c1ccc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C19H18N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)26-19(24)21-17/h2-7,11,17H,8-10H2,1H3,(H,21,24)
InChIKeyMVKJUXPWIBFHJL-UHFFFAOYSA-N
XLogP2.80
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione 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 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (CID 19391011) is 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is CC(=O)c1ccc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1.
What is the InChIKey of 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is MVKJUXPWIBFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)26-19(24)21-17/h2-7,11,17H,8-10H2,1H3,(H,21,24).
What are the key properties of 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 370.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 19391011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).