3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one

C16H23NO3S — CID 3337931

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3S/c1-4-5-16-17(15(18)11-21-16)9-8-12-6-7-13(19-2)14(10-12)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyBBLKHUOMLBVXDD-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.95
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one (PubChem CID 3337931) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
PubChem CID3337931
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23NO3S/c1-4-5-16-17(15(18)11-21-16)9-8-12-6-7-13(19-2)14(10-12)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyBBLKHUOMLBVXDD-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-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

(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 5150741
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
(2S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 1121586
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3682766
(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 34360039
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one (CID 3337931) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one is CCCC1SCC(=O)N1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one?
The InChIKey is BBLKHUOMLBVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-5-16-17(15(18)11-21-16)9-8-12-6-7-13(19-2)14(10-12)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one has a molecular weight of 309.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3337931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).