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

C26H22N6O2S — CID 122305428

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122305428) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122305428
• Molecular Formula: C26H22N6O2S
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.15
• IUPAC Name: N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3)nn2)n1
• InChI: InChI=1S/C26H22N6O2S/c1-16-15-17(2)32(31-16)22-13-14-23(30-29-22)34-21-11-9-20(10-12-21)28-25(33)24-18(3)27-26(35-24)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,28,33)
• InChIKey: HEPMCMIYMMJFRX-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 122305428) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)c4sc(-c5ccccc5)nc4C)cc3)nn2)n1.

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

The InChIKey is HEPMCMIYMMJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c1-16-15-17(2)32(31-16)22-13-14-23(30-29-22)34-21-11-9-20(10-12-21)28-25(33)24-18(3)27-26(35-24)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,28,33).

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122305428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).