2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one

C17H20N2O4S — CID 23822374

IUPAC2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2Cc2c(CO)cnc(C)c2O)o1
InChIInChI=1S/C17H20N2O4S/c1-3-12-4-5-14(23-12)17-19(15(21)9-24-17)7-13-11(8-20)6-18-10(2)16(13)22/h4-6,17,20,22H,3,7-9H2,1-2H3
InChIKeyGYVMSPQLIQDBEW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.52
Rot. Bonds5

About 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one

2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 23822374) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one
PubChem CID23822374
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C2SCC(=O)N2Cc2c(CO)cnc(C)c2O)o1
InChIInChI=1S/C17H20N2O4S/c1-3-12-4-5-14(23-12)17-19(15(21)9-24-17)7-13-11(8-20)6-18-10(2)16(13)22/h4-6,17,20,22H,3,7-9H2,1-2H3
InChIKeyGYVMSPQLIQDBEW-UHFFFAOYSA-N
XLogP2.52
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one (CID 23822374) is 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one is CCc1ccc(C2SCC(=O)N2Cc2c(CO)cnc(C)c2O)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is GYVMSPQLIQDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-12-4-5-14(23-12)17-19(15(21)9-24-17)7-13-11(8-20)6-18-10(2)16(13)22/h4-6,17,20,22H,3,7-9H2,1-2H3.
What are the key properties of 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one?
2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 348.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23822374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).