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

C25H19F4N5O2S2 — CID 149144369

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

N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 149144369) has the molecular formula C25H19F4N5O2S2 and a molecular weight of 561.59 g/mol. Its IUPAC name is N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 149144369
• Molecular Formula: C25H19F4N5O2S2
• Molecular Weight: 561.59 g/mol
• Exact Mass: 561.09
• IUPAC Name: N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)NCc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)s1
• InChI: InChI=1S/C25H19F4N5O2S2/c1-13-31-12-20(38-13)21(35)32-11-15-5-7-17(9-19(15)26)34-23(37)33(22(36)24(34,2)3)16-6-4-14(10-30)18(8-16)25(27,28)29/h4-9,12H,11H2,1-3H3,(H,32,35)
• InChIKey: RJOFDSUYSIFLDT-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 89.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.59
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 149144369) is N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2F)s1.

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

The InChIKey is RJOFDSUYSIFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O2S2/c1-13-31-12-20(38-13)21(35)32-11-15-5-7-17(9-19(15)26)34-23(37)33(22(36)24(34,2)3)16-6-4-14(10-30)18(8-16)25(27,28)29/h4-9,12H,11H2,1-3H3,(H,32,35).

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

N-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 561.59 g/mol, XLogP of 5.33, 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-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenyl]methyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 149144369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).