2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

C19H28N2O3S — CID 23851729

IUPAC2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCCN2CCCCC2)c1
InChIInChI=1S/C19H28N2O3S/c1-23-15-7-8-17(24-2)16(13-15)19-21(18(22)14-25-19)12-6-11-20-9-4-3-5-10-20/h7-8,13,19H,3-6,9-12,14H2,1-2H3
InChIKeyXMBIQDBIZUIGSD-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.15
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 23851729) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID23851729
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCCN2CCCCC2)c1
InChIInChI=1S/C19H28N2O3S/c1-23-15-7-8-17(24-2)16(13-15)19-21(18(22)14-25-19)12-6-11-20-9-4-3-5-10-20/h7-8,13,19H,3-6,9-12,14H2,1-2H3
InChIKeyXMBIQDBIZUIGSD-UHFFFAOYSA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (CID 23851729) is 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(C2SCC(=O)N2CCCN2CCCCC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is XMBIQDBIZUIGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-23-15-7-8-17(24-2)16(13-15)19-21(18(22)14-25-19)12-6-11-20-9-4-3-5-10-20/h7-8,13,19H,3-6,9-12,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 364.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23851729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).