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

C21H18BrN3O3S — CID 55356802

IUPAC5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cs2)c1
InChIInChI=1S/C21H18BrN3O3S/c1-21(16-8-3-4-9-17(16)22)19(26)25(20(27)24-21)11-14-12-29-18(23-14)13-6-5-7-15(10-13)28-2/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyRRVFLRRZAMVFPV-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.55
Rot. Bonds5

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

5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 55356802) has the molecular formula C21H18BrN3O3S and a molecular weight of 472.36 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID55356802
Molecular FormulaC21H18BrN3O3S
Molecular Weight472.36 g/mol
Exact Mass471.03
IUPAC Name5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cs2)c1
InChIInChI=1S/C21H18BrN3O3S/c1-21(16-8-3-4-9-17(16)22)19(26)25(20(27)24-21)11-14-12-29-18(23-14)13-6-5-7-15(10-13)28-2/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyRRVFLRRZAMVFPV-UHFFFAOYSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.55
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

(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
(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
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
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
3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 16610620
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 78878886
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 51173526
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 55356802) is 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1cccc(-c2nc(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cs2)c1.
What is the InChIKey of 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is RRVFLRRZAMVFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3S/c1-21(16-8-3-4-9-17(16)22)19(26)25(20(27)24-21)11-14-12-29-18(23-14)13-6-5-7-15(10-13)28-2/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 472.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55356802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).