1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone

C15H19N3O2S2 — CID 166269421

About 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone

1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone (PubChem CID 166269421) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone.

Molecular Properties

• Compound Name: 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone
• PubChem CID: 166269421
• Molecular Formula: C15H19N3O2S2
• Molecular Weight: 337.47 g/mol
• Exact Mass: 337.09
• IUPAC Name: 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone
• SMILES: Cc1csc(CC2CCCN(C(=O)COc3ccsn3)C2)n1
• InChI: InChI=1S/C15H19N3O2S2/c1-11-10-21-14(16-11)7-12-3-2-5-18(8-12)15(19)9-20-13-4-6-22-17-13/h4,6,10,12H,2-3,5,7-9H2,1H3
• InChIKey: VUKAFSMWIMETJF-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 55.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.47
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone?

The IUPAC name of 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone (CID 166269421) is 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone.

What is the SMILES notation for 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone?

The canonical SMILES for 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone is Cc1csc(CC2CCCN(C(=O)COc3ccsn3)C2)n1.

What is the InChIKey of 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone?

The InChIKey is VUKAFSMWIMETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-10-21-14(16-11)7-12-3-2-5-18(8-12)15(19)9-20-13-4-6-22-17-13/h4,6,10,12H,2-3,5,7-9H2,1H3.

What are the key properties of 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone?

1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone has a molecular weight of 337.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(1,2-thiazol-3-yloxy)ethanone is sourced from PubChem (CID 166269421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).