4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide

C22H26N4O3S — CID 146624004

About 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide

4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 146624004) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
• PubChem CID: 146624004
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
• SMILES: COc1ncc(C2CCOCC2)c2sc(NC(=O)c3ccc(CN(C)C)cc3)nc12
• InChI: InChI=1S/C22H26N4O3S/c1-26(2)13-14-4-6-16(7-5-14)20(27)25-22-24-18-19(30-22)17(12-23-21(18)28-3)15-8-10-29-11-9-15/h4-7,12,15H,8-11,13H2,1-3H3,(H,24,25,27)
• InChIKey: XYCSCNUCUGNGGP-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 76.58 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	426.54
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide (CID 146624004) is 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide is COc1ncc(C2CCOCC2)c2sc(NC(=O)c3ccc(CN(C)C)cc3)nc12.

What is the InChIKey of 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide?

The InChIKey is XYCSCNUCUGNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-26(2)13-14-4-6-16(7-5-14)20(27)25-22-24-18-19(30-22)17(12-23-21(18)28-3)15-8-10-29-11-9-15/h4-7,12,15H,8-11,13H2,1-3H3,(H,24,25,27).

What are the key properties of 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide?

4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 146624004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).