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

C21H20N4O3S — CID 90528392

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

N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528392) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528392
• Molecular Formula: C21H20N4O3S
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.13
• IUPAC Name: N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccc(CC(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1
• InChI: InChI=1S/C21H20N4O3S/c1-28-15-7-5-14(6-8-15)12-19(26)25-11-9-16-18(13-25)29-21(23-16)24-20(27)17-4-2-3-10-22-17/h2-8,10H,9,11-13H2,1H3,(H,23,24,27)
• InChIKey: ARUYLASQFHQOSI-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528392) is N-[5-[2-(4-methoxyphenyl)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-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is COc1ccc(CC(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1.

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

The InChIKey is ARUYLASQFHQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-28-15-7-5-14(6-8-15)12-19(26)25-11-9-16-18(13-25)29-21(23-16)24-20(27)17-4-2-3-10-22-17/h2-8,10H,9,11-13H2,1H3,(H,23,24,27).

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

N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).