2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one

C15H17NO2S — CID 3614492

IUPAC2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2S/c1-2-3-8-16-14(17)10-19-15(16)13-9-11-6-4-5-7-12(11)18-13/h4-7,9,15H,2-3,8,10H2,1H3
InChIKeyVZLRMRFVOCVIDR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.81
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one

2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one (PubChem CID 3614492) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
PubChem CID3614492
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1cc2ccccc2o1
InChIInChI=1S/C15H17NO2S/c1-2-3-8-16-14(17)10-19-15(16)13-9-11-6-4-5-7-12(11)18-13/h4-7,9,15H,2-3,8,10H2,1H3
InChIKeyVZLRMRFVOCVIDR-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one (CID 3614492) is 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one is CCCCN1C(=O)CSC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one?
The InChIKey is VZLRMRFVOCVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-3-8-16-14(17)10-19-15(16)13-9-11-6-4-5-7-12(11)18-13/h4-7,9,15H,2-3,8,10H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one?
2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one has a molecular weight of 275.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3614492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).