4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C25H20N6O2S — CID 122305050

About 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122305050) has the molecular formula C25H20N6O2S and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122305050
• Molecular Formula: C25H20N6O2S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.14
• IUPAC Name: 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3)nn2)n1
• InChI: InChI=1S/C25H20N6O2S/c1-16-14-15-31(30-16)21-12-13-22(29-28-21)33-20-10-8-19(9-11-20)27-24(32)23-17(2)26-25(34-23)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,32)
• InChIKey: BIVXUZSHJLIKFO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 122305050) is 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3)nn2)n1.

What is the InChIKey of 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is BIVXUZSHJLIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2S/c1-16-14-15-31(30-16)21-12-13-22(29-28-21)33-20-10-8-19(9-11-20)27-24(32)23-17(2)26-25(34-23)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,32).

What are the key properties of 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122305050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).