N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane

C39H38F6N8O2S2 — CID 159944074

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane (PubChem CID 159944074) has the molecular formula C39H38F6N8O2S2 and a molecular weight of 828.91 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane
• PubChem CID: 159944074
• Molecular Formula: C39H38F6N8O2S2
• Molecular Weight: 828.91 g/mol
• Exact Mass: 828.25
• IUPAC Name: N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane
• SMILES: C.Cc1cccc(C)c1Nc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N)cs1.Cc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cs1
• InChI: InChI=1S/2C19H17F3N4OS.CH4/c1-10-4-3-5-11(2)16(10)26-18-25-15(9-28-18)17(27)24-14-7-6-12(8-13(14)23)19(20,21)22;1-10-4-3-5-11(2)16(10)26-18-25-15(9-28-18)17(27)24-14-8-12(19(20,21)22)6-7-13(14)23;/h2*3-9H,23H2,1-2H3,(H,24,27)(H,25,26);1H4
• InChIKey: OBGMDQYAFYFEBW-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 160.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.91
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane?

The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane (CID 159944074) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane.

What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane?

The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane is C.Cc1cccc(C)c1Nc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N)cs1.Cc1cccc(C)c1Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cs1.

What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane?

The InChIKey is OBGMDQYAFYFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17F3N4OS.CH4/c1-10-4-3-5-11(2)16(10)26-18-25-15(9-28-18)17(27)24-14-7-6-12(8-13(14)23)19(20,21)22;1-10-4-3-5-11(2)16(10)26-18-25-15(9-28-18)17(27)24-14-8-12(19(20,21)22)6-7-13(14)23;/h2*3-9H,23H2,1-2H3,(H,24,27)(H,25,26);1H4.

What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane?

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane has a molecular weight of 828.91 g/mol, XLogP of 11.35, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane is sourced from PubChem (CID 159944074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).