N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

C21H20N4O4S — CID 90528380

About N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528380) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528380
• Molecular Formula: C21H20N4O4S
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.12
• IUPAC Name: N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccccc1OCC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1
• InChI: InChI=1S/C21H20N4O4S/c1-28-16-7-2-3-8-17(16)29-13-19(26)25-11-9-14-18(12-25)30-21(23-14)24-20(27)15-6-4-5-10-22-15/h2-8,10H,9,11-13H2,1H3,(H,23,24,27)
• InChIKey: HVHCDRUCDVVRJK-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528380) is N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is COc1ccccc1OCC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1.

What is the InChIKey of N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The InChIKey is HVHCDRUCDVVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-28-16-7-2-3-8-17(16)29-13-19(26)25-11-9-14-18(12-25)30-21(23-14)24-20(27)15-6-4-5-10-22-15/h2-8,10H,9,11-13H2,1H3,(H,23,24,27).

What are the key properties of N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).