2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C21H24N4OS — CID 97278410

About 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97278410) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97278410
• Molecular Formula: C21H24N4OS
• Molecular Weight: 380.52 g/mol
• Exact Mass: 380.17
• IUPAC Name: 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1ccccc1CC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C21H24N4OS/c1-16-5-2-3-6-17(16)11-20(26)24-9-4-7-18(12-24)21-22-8-10-25(21)13-19-14-27-15-23-19/h2-3,5-6,8,10,14-15,18H,4,7,9,11-13H2,1H3/t18-/m1/s1
• InChIKey: VRAGYCWGZFPWAP-GOSISDBHSA-N
• XLogP: 3.65
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97278410) is 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1.

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

The InChIKey is VRAGYCWGZFPWAP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16-5-2-3-6-17(16)11-20(26)24-9-4-7-18(12-24)21-22-8-10-25(21)13-19-14-27-15-23-19/h2-3,5-6,8,10,14-15,18H,4,7,9,11-13H2,1H3/t18-/m1/s1.

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

2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 380.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97278410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).