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

C15H19NO2S — CID 3718539

IUPAC3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO2S/c1-2-3-7-16-14(17)10-19-15(16)12-4-5-13-11(9-12)6-8-18-13/h4-5,9,15H,2-3,6-8,10H2,1H3
InChIKeyNKOYOJPBFXAWOA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.00
Rot. Bonds4

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

3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one (PubChem CID 3718539) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
PubChem CID3718539
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO2S/c1-2-3-7-16-14(17)10-19-15(16)12-4-5-13-11(9-12)6-8-18-13/h4-5,9,15H,2-3,6-8,10H2,1H3
InChIKeyNKOYOJPBFXAWOA-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497
2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
CID 3487681
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 5146892
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3841228
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3801896
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3685976
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl-diethyl-methylazanium iodide
CID 134108977
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
2-(4-aminophenyl)-3-[3-(butylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 3031975

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one (CID 3718539) is 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one is CCCCN1C(=O)CSC1c1ccc2c(c1)CCO2.
What is the InChIKey of 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is NKOYOJPBFXAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-3-7-16-14(17)10-19-15(16)12-4-5-13-11(9-12)6-8-18-13/h4-5,9,15H,2-3,6-8,10H2,1H3.
What are the key properties of 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one?
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 277.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3718539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).