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

C16H24N2O3S — CID 2860272

IUPAC2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)12-6-7-13(20-3)14(10-12)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyRDQTVBHSBQKXSB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.23
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 2860272) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID2860272
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)12-6-7-13(20-3)14(10-12)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyRDQTVBHSBQKXSB-UHFFFAOYSA-N
XLogP2.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (CID 2860272) is 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCCN(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is RDQTVBHSBQKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)12-6-7-13(20-3)14(10-12)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 324.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2860272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).