(5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C28H31FN4O5SSi — CID 91321233

About (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 91321233) has the molecular formula C28H31FN4O5SSi and a molecular weight of 582.73 g/mol. Its IUPAC name is (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 91321233
• Molecular Formula: C28H31FN4O5SSi
• Molecular Weight: 582.73 g/mol
• Exact Mass: 582.18
• IUPAC Name: (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2cn(C[C@@]3(c4nc(-c5ccc(F)cc5)cs4)NC(=O)N(COCC[Si](C)(C)C)C3=O)c(O)c2c1
• InChI: InChI=1S/C28H31FN4O5SSi/c1-37-21-10-7-19-14-32(24(34)22(19)13-21)16-28(25-30-23(15-39-25)18-5-8-20(29)9-6-18)26(35)33(27(36)31-28)17-38-11-12-40(2,3)4/h5-10,13-15,34H,11-12,16-17H2,1-4H3,(H,31,36)/t28-/m0/s1
• InChIKey: HVIYEKCFXHCNCJ-NDEPHWFRSA-N
• XLogP: 5.38
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.73
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 91321233) is (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4nc(-c5ccc(F)cc5)cs4)NC(=O)N(COCC[Si](C)(C)C)C3=O)c(O)c2c1.

What is the InChIKey of (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is HVIYEKCFXHCNCJ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H31FN4O5SSi/c1-37-21-10-7-19-14-32(24(34)22(19)13-21)16-28(25-30-23(15-39-25)18-5-8-20(29)9-6-18)26(35)33(27(36)31-28)17-38-11-12-40(2,3)4/h5-10,13-15,34H,11-12,16-17H2,1-4H3,(H,31,36)/t28-/m0/s1.

What are the key properties of (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

(5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 582.73 g/mol, XLogP of 5.38, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91321233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).