5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C21H21N3O3S — CID 56522111

IUPAC5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-12-5-7-15(8-6-12)18-22-16(11-28-18)10-24-19(25)21(4,23-20(24)26)17-9-13(2)27-14(17)3/h5-9,11H,10H2,1-4H3,(H,23,26)
InChIKeyFTJCQYQGCQRRNJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.30
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56522111) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID56522111
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cs2)cc1
InChIInChI=1S/C21H21N3O3S/c1-12-5-7-15(8-6-12)18-22-16(11-28-18)10-24-19(25)21(4,23-20(24)26)17-9-13(2)27-14(17)3/h5-9,11H,10H2,1-4H3,(H,23,26)
InChIKeyFTJCQYQGCQRRNJ-UHFFFAOYSA-N
XLogP4.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 2122122
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
3'-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55327301
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094699
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 24629572
5-(2,5-dimethylfuran-3-yl)-3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 60620112
5-(2,5-difluorophenyl)-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55529112
5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55356802
5-methyl-5-(4-propan-2-ylphenyl)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 84878946

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 56522111) is 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4cc(C)oc4C)C3=O)cs2)cc1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is FTJCQYQGCQRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-12-5-7-15(8-6-12)18-22-16(11-28-18)10-24-19(25)21(4,23-20(24)26)17-9-13(2)27-14(17)3/h5-9,11H,10H2,1-4H3,(H,23,26).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 395.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56522111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).