5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C22H16F3N3O4S — CID 24629572

About 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 24629572) has the molecular formula C22H16F3N3O4S and a molecular weight of 475.45 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 24629572
• Molecular Formula: C22H16F3N3O4S
• Molecular Weight: 475.45 g/mol
• Exact Mass: 475.08
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
• SMILES: CC1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O
• InChI: InChI=1S/C22H16F3N3O4S/c1-21(14-6-7-16-17(8-14)32-11-31-16)19(29)28(20(30)27-21)9-15-10-33-18(26-15)12-2-4-13(5-3-12)22(23,24)25/h2-8,10H,9,11H2,1H3,(H,27,30)
• InChIKey: QJCQCFNYDCANNH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.45
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 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) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1=O.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is QJCQCFNYDCANNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4S/c1-21(14-6-7-16-17(8-14)32-11-31-16)19(29)28(20(30)27-21)9-15-10-33-18(26-15)12-2-4-13(5-3-12)22(23,24)25/h2-8,10H,9,11H2,1H3,(H,27,30).

What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 475.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24629572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).