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

C18H18N2O3S — CID 14546515

IUPAC5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cccnc1CCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-3-2-9-19-15(12)8-10-23-14-6-4-13(5-7-14)11-16-17(21)20-18(22)24-16/h2-7,9,16H,8,10-11H2,1H3,(H,20,21,22)
InChIKeyUFIIPYBZDKGWEI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.91
Rot. Bonds6

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

5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14546515) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14546515
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cccnc1CCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-3-2-9-19-15(12)8-10-23-14-6-4-13(5-7-14)11-16-17(21)20-18(22)24-16/h2-7,9,16H,8,10-11H2,1H3,(H,20,21,22)
InChIKeyUFIIPYBZDKGWEI-UHFFFAOYSA-N
XLogP2.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14546515) is 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cccnc1CCOc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UFIIPYBZDKGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-3-2-9-19-15(12)8-10-23-14-6-4-13(5-7-14)11-16-17(21)20-18(22)24-16/h2-7,9,16H,8,10-11H2,1H3,(H,20,21,22).
What are the key properties of 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14546515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).