(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C21H16FN3O3S — CID 52908678

About (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 52908678) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 52908678
• Molecular Formula: C21H16FN3O3S
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.09
• IUPAC Name: (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C21H16FN3O3S/c22-14-7-5-13(6-8-14)18-23-15(12-29-18)11-25-19(26)21(24-20(25)27)9-10-28-17-4-2-1-3-16(17)21/h1-8,12H,9-11H2,(H,24,27)/t21-/m1/s1
• InChIKey: LSSIXHKUJBAANN-OAQYLSRUSA-N
• XLogP: 3.68
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 52908678) is (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccc(F)cc2)n1.

What is the InChIKey of (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is LSSIXHKUJBAANN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-14-7-5-13(6-8-14)18-23-15(12-29-18)11-25-19(26)21(24-20(25)27)9-10-28-17-4-2-1-3-16(17)21/h1-8,12H,9-11H2,(H,24,27)/t21-/m1/s1.

What are the key properties of (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?

(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 409.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 52908678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).