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

C22H17FN4O4S — CID 91453190

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

(5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 91453190) has the molecular formula C22H17FN4O4S and a molecular weight of 452.47 g/mol. Its IUPAC name is (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]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]imidazolidine-2,4-dione
• PubChem CID: 91453190
• Molecular Formula: C22H17FN4O4S
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.10
• IUPAC Name: (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2cn(C[C@@]3(c4nc(-c5ccc(F)cc5)cs4)NC(=O)NC3=O)c(O)c2c1
• InChI: InChI=1S/C22H17FN4O4S/c1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)20-24-17(10-32-20)12-2-5-14(23)6-3-12/h2-10,28H,11H2,1H3,(H2,25,26,29,30)/t22-/m1/s1
• InChIKey: SAFZJRFNCUQZHD-JOCHJYFZSA-N
• XLogP: 3.35
• TPSA: 105.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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]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]imidazolidine-2,4-dione (CID 91453190) is (5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]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]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]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4nc(-c5ccc(F)cc5)cs4)NC(=O)NC3=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]imidazolidine-2,4-dione?

The InChIKey is SAFZJRFNCUQZHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17FN4O4S/c1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)20-24-17(10-32-20)12-2-5-14(23)6-3-12/h2-10,28H,11H2,1H3,(H2,25,26,29,30)/t22-/m1/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]imidazolidine-2,4-dione?

(5R)-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 452.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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]imidazolidine-2,4-dione is sourced from PubChem (CID 91453190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).