N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C22H17F3N4O3S — CID 60548007

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 60548007) has the molecular formula C22H17F3N4O3S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
• PubChem CID: 60548007
• Molecular Formula: C22H17F3N4O3S
• Molecular Weight: 474.46 g/mol
• Exact Mass: 474.10
• IUPAC Name: N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
• SMILES: Cc1cc(-c2csc(NC(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)n2)c(C)o1
• InChI: InChI=1S/C22H17F3N4O3S/c1-11-7-18(30)19(28-29(11)15-6-4-5-14(9-15)22(23,24)25)20(31)27-21-26-17(10-33-21)16-8-12(2)32-13(16)3/h4-10H,1-3H3,(H,26,27,31)
• InChIKey: UYABZUZODVPSOO-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.46
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 60548007) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(-c2csc(NC(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(C)cc3=O)n2)c(C)o1.

What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The InChIKey is UYABZUZODVPSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3S/c1-11-7-18(30)19(28-29(11)15-6-4-5-14(9-15)22(23,24)25)20(31)27-21-26-17(10-33-21)16-8-12(2)32-13(16)3/h4-10H,1-3H3,(H,26,27,31).

What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60548007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).