2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C18H27N5O2S — CID 72902331

About 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 72902331) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 72902331
• Molecular Formula: C18H27N5O2S
• Molecular Weight: 377.51 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: COCCN(C)CC(=O)N1CCCC(c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C18H27N5O2S/c1-21(8-9-25-2)12-17(24)22-6-3-4-15(10-22)18-19-5-7-23(18)11-16-13-26-14-20-16/h5,7,13-15H,3-4,6,8-12H2,1-2H3
• InChIKey: HYWVMCYVLHUCHO-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.51
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 72902331) is 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is COCCN(C)CC(=O)N1CCCC(c2nccn2Cc2cscn2)C1.

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

The InChIKey is HYWVMCYVLHUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-21(8-9-25-2)12-17(24)22-6-3-4-15(10-22)18-19-5-7-23(18)11-16-13-26-14-20-16/h5,7,13-15H,3-4,6,8-12H2,1-2H3.

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

2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 377.51 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72902331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).