(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H24N4O2S — CID 72918394

About (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72918394) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 72918394
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(C)c1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C21H24N4O2S/c1-15-5-3-7-18(27-2)19(15)21(26)25-9-4-6-16(11-25)20-22-8-10-24(20)12-17-13-28-14-23-17/h3,5,7-8,10,13-14,16H,4,6,9,11-12H2,1-2H3
• InChIKey: ROTOOJGICFGQBM-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72918394) is (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is COc1cccc(C)c1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1.

What is the InChIKey of (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is ROTOOJGICFGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-5-3-7-18(27-2)19(15)21(26)25-9-4-6-16(11-25)20-22-8-10-24(20)12-17-13-28-14-23-17/h3,5,7-8,10,13-14,16H,4,6,9,11-12H2,1-2H3.

What are the key properties of (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 396.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72918394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).