N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C22H19N5O3S — CID 71586182

About N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 71586182) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 71586182
• Molecular Formula: C22H19N5O3S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: COc1cnc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1
• InChI: InChI=1S/C22H19N5O3S/c1-13-8-16(30-19-11-24-18(29-3)10-25-19)9-14(2)20(13)17-12-31-22(26-17)27-21(28)15-4-6-23-7-5-15/h4-12H,1-3H3,(H,26,27,28)
• InChIKey: DAYXLUVGPRLIJY-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 99.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 71586182) is N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cnc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1.

What is the InChIKey of N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is DAYXLUVGPRLIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-13-8-16(30-19-11-24-18(29-3)10-25-19)9-14(2)20(13)17-12-31-22(26-17)27-21(28)15-4-6-23-7-5-15/h4-12H,1-3H3,(H,26,27,28).

What are the key properties of N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(5-methoxypyrazin-2-yl)oxy-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 71586182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).