3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one

C12H16N2O2S — CID 3670137

IUPAC3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccncc1
InChIInChI=1S/C12H16N2O2S/c1-16-8-2-7-14-11(15)9-17-12(14)10-3-5-13-6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyLPYXKFCHEJYAID-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.69
Rot. Bonds5

About 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one

3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one (PubChem CID 3670137) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
PubChem CID3670137
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccncc1
InChIInChI=1S/C12H16N2O2S/c1-16-8-2-7-14-11(15)9-17-12(14)10-3-5-13-6-4-10/h3-6,12H,2,7-9H2,1H3
InChIKeyLPYXKFCHEJYAID-UHFFFAOYSA-N
XLogP1.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropyl)-2-pyridin-4-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-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4586715
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 4984571
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one (CID 3670137) is 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1ccncc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is LPYXKFCHEJYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-8-2-7-14-11(15)9-17-12(14)10-3-5-13-6-4-10/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one?
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).