N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide

C24H17F4N5O3S — CID 148766690

About N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide

N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 148766690) has the molecular formula C24H17F4N5O3S and a molecular weight of 531.49 g/mol. Its IUPAC name is N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 148766690
• Molecular Formula: C24H17F4N5O3S
• Molecular Weight: 531.49 g/mol
• Exact Mass: 531.10
• IUPAC Name: N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CNC(=O)c2cncs2)c(F)c1
• InChI: InChI=1S/C24H17F4N5O3S/c1-23(2)21(35)32(15-5-3-13(9-29)17(7-15)24(26,27)28)22(36)33(23)16-6-4-14(18(25)8-16)10-31-20(34)19-11-30-12-37-19/h3-8,11-12H,10H2,1-2H3,(H,31,34)
• InChIKey: OHPMXYRNYNRZPK-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.49
LogP ≤ 5	4.85
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 N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide (CID 148766690) is N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CNC(=O)c2cncs2)c(F)c1.

What is the InChIKey of N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is OHPMXYRNYNRZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O3S/c1-23(2)21(35)32(15-5-3-13(9-29)17(7-15)24(26,27)28)22(36)33(23)16-6-4-14(18(25)8-16)10-31-20(34)19-11-30-12-37-19/h3-8,11-12H,10H2,1-2H3,(H,31,34).

What are the key properties of N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide?

N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 531.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 148766690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).