2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H17FN4O3S — CID 176859350

About 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 176859350) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 176859350
• Molecular Formula: C22H17FN4O3S
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.10
• IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: COc1cccc(-c2csc(NC(=O)c3cccnc3-c3ccc(F)c(OC)c3)n2)n1
• InChI: InChI=1S/C22H17FN4O3S/c1-29-18-11-13(8-9-15(18)23)20-14(5-4-10-24-20)21(28)27-22-26-17(12-31-22)16-6-3-7-19(25-16)30-2/h3-12H,1-2H3,(H,26,27,28)
• InChIKey: UCAUAYGXAZEBAY-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 176859350) is 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1cccc(-c2csc(NC(=O)c3cccnc3-c3ccc(F)c(OC)c3)n2)n1.

What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is UCAUAYGXAZEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c1-29-18-11-13(8-9-15(18)23)20-14(5-4-10-24-20)21(28)27-22-26-17(12-31-22)16-6-3-7-19(25-16)30-2/h3-12H,1-2H3,(H,26,27,28).

What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-3-methoxyphenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176859350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).