3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

C21H21N3O3S — CID 3866351

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-16-7-9-17(10-8-16)27-12-11-24-19(25)14-28-21(24)18-13-22-20(23-18)15-5-3-2-4-6-15/h2-10,13,21H,11-12,14H2,1H3,(H,22,23)
InChIKeyIUKXNUKQPCVDIT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.74
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 3866351) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID3866351
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-16-7-9-17(10-8-16)27-12-11-24-19(25)14-28-21(24)18-13-22-20(23-18)15-5-3-2-4-6-15/h2-10,13,21H,11-12,14H2,1H3,(H,22,23)
InChIKeyIUKXNUKQPCVDIT-UHFFFAOYSA-N
XLogP3.74
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (CID 3866351) is 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is COc1ccc(OCCN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is IUKXNUKQPCVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-26-16-7-9-17(10-8-16)27-12-11-24-19(25)14-28-21(24)18-13-22-20(23-18)15-5-3-2-4-6-15/h2-10,13,21H,11-12,14H2,1H3,(H,22,23).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 395.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3866351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).