2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C20H22N2OS — CID 10404882

IUPAC2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESC=Cc1ccc(-c2cnccc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)18-11-21-10-9-17(18)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
InChIKeyGRPUZHCGDQUWQT-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.62
Rot. Bonds5

About 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 10404882) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID10404882
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESC=Cc1ccc(-c2cnccc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)18-11-21-10-9-17(18)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
InChIKeyGRPUZHCGDQUWQT-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-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

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
Sdm-8
CID 138106851
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
3-(Cyclopropylmethyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732306
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
(2S)-2-amino-3-[4-(pyridin-2-yl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 23645385
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 892299
3-Benzyl-5-(4-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1940966
3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
3-(3,5-Dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4248964
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 4878299

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 10404882) is 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is C=Cc1ccc(-c2cnccc2C2SCC(=O)N2CC(C)C)cc1.
What is the InChIKey of 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is GRPUZHCGDQUWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)18-11-21-10-9-17(18)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3.
What are the key properties of 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 338.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethenylphenyl)-4-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10404882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).