1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone

C24H28N4OS — CID 45482773

About 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone

1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone (PubChem CID 45482773) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone
• PubChem CID: 45482773
• Molecular Formula: C24H28N4OS
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.20
• IUPAC Name: 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1
• InChI: InChI=1S/C24H28N4OS/c1-17(29)18-6-5-7-19(14-18)21-15-23-22(16-25-21)26-24(30-23)28-12-8-20(9-13-28)27-10-3-2-4-11-27/h5-7,14-16,20H,2-4,8-13H2,1H3
• InChIKey: XZXNOQWBORGEFP-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone?

The IUPAC name of 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone (CID 45482773) is 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone.

What is the SMILES notation for 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone?

The canonical SMILES for 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1.

What is the InChIKey of 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone?

The InChIKey is XZXNOQWBORGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-17(29)18-6-5-7-19(14-18)21-15-23-22(16-25-21)26-24(30-23)28-12-8-20(9-13-28)27-10-3-2-4-11-27/h5-7,14-16,20H,2-4,8-13H2,1H3.

What are the key properties of 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone?

1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone has a molecular weight of 420.58 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenyl]ethanone is sourced from PubChem (CID 45482773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).