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

C19H20N2O4S — CID 46781869

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3(O)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C19H20N2O4S/c1-2-13-3-6-15(20-12-13)9-10-25-16-7-4-14(5-8-16)11-19(24)17(22)21-18(23)26-19/h3-8,12,24H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyHDKWBDGQTUQSTO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.48
Rot. Bonds7

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

5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione (PubChem CID 46781869) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione
PubChem CID46781869
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3(O)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C19H20N2O4S/c1-2-13-3-6-15(20-12-13)9-10-25-16-7-4-14(5-8-16)11-19(24)17(22)21-18(23)26-19/h3-8,12,24H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyHDKWBDGQTUQSTO-UHFFFAOYSA-N
XLogP2.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione (CID 46781869) is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione is CCc1ccc(CCOc2ccc(CC3(O)SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione?
The InChIKey is HDKWBDGQTUQSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-2-13-3-6-15(20-12-13)9-10-25-16-7-4-14(5-8-16)11-19(24)17(22)21-18(23)26-19/h3-8,12,24H,2,9-11H2,1H3,(H,21,22,23).
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione has a molecular weight of 372.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-hydroxy-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46781869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).