5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C20H19NO3S — CID 4827606

IUPAC5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-20(2,3)14-8-6-13(7-9-14)11-17-19(23)21-18(25-17)12-15(22)16-5-4-10-24-16/h4-12H,1-3H3,(H,21,23)
InChIKeyAOFHQLMBAHYKJW-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.82
Rot. Bonds3

About 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one

5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4827606) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4827606
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-20(2,3)14-8-6-13(7-9-14)11-17-19(23)21-18(25-17)12-15(22)16-5-4-10-24-16/h4-12H,1-3H3,(H,21,23)
InChIKeyAOFHQLMBAHYKJW-UHFFFAOYSA-N
XLogP2.82
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4827606) is 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is AOFHQLMBAHYKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-20(2,3)14-8-6-13(7-9-14)11-17-19(23)21-18(25-17)12-15(22)16-5-4-10-24-16/h4-12H,1-3H3,(H,21,23).
What are the key properties of 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 353.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).