2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C26H25N3O2S — CID 95851698

About 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 95851698) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 95851698
• Molecular Formula: C26H25N3O2S
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
• SMILES: COc1cccc(-c2nc3c(s2)CN(Cc2cccc(OCc4ccccn4)c2)CC3)c1
• InChI: InChI=1S/C26H25N3O2S/c1-30-22-9-5-7-20(15-22)26-28-24-11-13-29(17-25(24)32-26)16-19-6-4-10-23(14-19)31-18-21-8-2-3-12-27-21/h2-10,12,14-15H,11,13,16-18H2,1H3
• InChIKey: GVZWVIDNJMCLEJ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 47.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 95851698) is 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(s2)CN(Cc2cccc(OCc4ccccn4)c2)CC3)c1.

What is the InChIKey of 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is GVZWVIDNJMCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-30-22-9-5-7-20(15-22)26-28-24-11-13-29(17-25(24)32-26)16-19-6-4-10-23(14-19)31-18-21-8-2-3-12-27-21/h2-10,12,14-15H,11,13,16-18H2,1H3.

What are the key properties of 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 443.57 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 95851698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).