3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide

C21H21F2N5O2S — CID 71261907

About 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide

3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 71261907) has the molecular formula C21H21F2N5O2S and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 71261907
• Molecular Formula: C21H21F2N5O2S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.14
• IUPAC Name: 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
• SMILES: Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OCC1CCNCC1
• InChI: InChI=1S/C21H21F2N5O2S/c22-13-2-1-3-14(23)18(13)16-5-4-15(24)19(27-16)20(29)28-17-10-26-31-21(17)30-11-12-6-8-25-9-7-12/h1-5,10,12,25H,6-9,11,24H2,(H,28,29)
• InChIKey: MLGLCINPQIFABM-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 102.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide (CID 71261907) is 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide is Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnsc1OCC1CCNCC1.

What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?

The InChIKey is MLGLCINPQIFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2S/c22-13-2-1-3-14(23)18(13)16-5-4-15(24)19(27-16)20(29)28-17-10-26-31-21(17)30-11-12-6-8-25-9-7-12/h1-5,10,12,25H,6-9,11,24H2,(H,28,29).

What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide?

3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71261907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).