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

C22H17FN4O2S — CID 176859316

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

2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 176859316) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 176859316
• Molecular Formula: C22H17FN4O2S
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.11
• IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: COc1cc(-c2ncccc2C(=O)Nc2nc(-c3ncccc3C)cs2)ccc1F
• InChI: InChI=1S/C22H17FN4O2S/c1-13-5-3-9-24-19(13)17-12-30-22(26-17)27-21(28)15-6-4-10-25-20(15)14-7-8-16(23)18(11-14)29-2/h3-12H,1-2H3,(H,26,27,28)
• InChIKey: GWUCXTNGZPVIFY-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 176859316) is 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1cc(-c2ncccc2C(=O)Nc2nc(-c3ncccc3C)cs2)ccc1F.

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

The InChIKey is GWUCXTNGZPVIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-13-5-3-9-24-19(13)17-12-30-22(26-17)27-21(28)15-6-4-10-25-20(15)14-7-8-16(23)18(11-14)29-2/h3-12H,1-2H3,(H,26,27,28).

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

2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176859316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).