3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

C26H21N3O3S — CID 17402829

IUPAC3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1nc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cs1
InChIInChI=1S/C26H21N3O3S/c1-32-22-15-9-8-14-21(22)23-27-20(17-33-23)16-29-24(30)26(28-25(29)31,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,28,31)
InChIKeyVYQAGWPOPVFVSF-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.81
Rot. Bonds6

About 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione

3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 17402829) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID17402829
Molecular FormulaC26H21N3O3S
Molecular Weight455.54 g/mol
Exact Mass455.13
IUPAC Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1nc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cs1
InChIInChI=1S/C26H21N3O3S/c1-32-22-15-9-8-14-21(22)23-27-20(17-33-23)16-29-24(30)26(28-25(29)31,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,28,31)
InChIKeyVYQAGWPOPVFVSF-UHFFFAOYSA-N
XLogP4.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione 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-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 17402829) is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is COc1ccccc1-c1nc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cs1.
What is the InChIKey of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is VYQAGWPOPVFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-32-22-15-9-8-14-21(22)23-27-20(17-33-23)16-29-24(30)26(28-25(29)31,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,28,31).
What are the key properties of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 455.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 17402829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).