2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

C17H23NO3S — CID 3697497

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23NO3S/c1-2-8-20-9-3-7-18-16(19)12-22-17(18)14-4-5-15-13(11-14)6-10-21-15/h4-5,11,17H,2-3,6-10,12H2,1H3
InChIKeyJCJMPGDKMMOJIN-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.01
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3697497) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3697497
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
SMILESCCCOCCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H23NO3S/c1-2-8-20-9-3-7-18-16(19)12-22-17(18)14-4-5-15-13(11-14)6-10-21-15/h4-5,11,17H,2-3,6-10,12H2,1H3
InChIKeyJCJMPGDKMMOJIN-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one (CID 3697497) is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is CCCOCCCN1C(=O)CSC1c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is JCJMPGDKMMOJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-2-8-20-9-3-7-18-16(19)12-22-17(18)14-4-5-15-13(11-14)6-10-21-15/h4-5,11,17H,2-3,6-10,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one?
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 321.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3697497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).