2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one

C20H20N2O3S — CID 10451674

IUPAC2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2-c2ccc3c(c2)OCO3)N1C1CCCC1
InChIInChI=1S/C20H20N2O3S/c23-19-11-26-20(22(19)14-3-1-2-4-14)15-7-8-21-10-16(15)13-5-6-17-18(9-13)25-12-24-17/h5-10,14,20H,1-4,11-12H2
InChIKeyGWPDCWRVLNQTDM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.99
Rot. Bonds3

About 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one

2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one (PubChem CID 10451674) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
PubChem CID10451674
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2-c2ccc3c(c2)OCO3)N1C1CCCC1
InChIInChI=1S/C20H20N2O3S/c23-19-11-26-20(22(19)14-3-1-2-4-14)15-7-8-21-10-16(15)13-5-6-17-18(9-13)25-12-24-17/h5-10,14,20H,1-4,11-12H2
InChIKeyGWPDCWRVLNQTDM-UHFFFAOYSA-N
XLogP3.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-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-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one (CID 10451674) is 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccncc2-c2ccc3c(c2)OCO3)N1C1CCCC1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
The InChIKey is GWPDCWRVLNQTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-19-11-26-20(22(19)14-3-1-2-4-14)15-7-8-21-10-16(15)13-5-6-17-18(9-13)25-12-24-17/h5-10,14,20H,1-4,11-12H2.
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one?
2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]-3-cyclopentyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10451674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).