2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol

C22H27N3O2S — CID 98591047

About 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 98591047) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 98591047
• Molecular Formula: C22H27N3O2S
• Molecular Weight: 397.54 g/mol
• Exact Mass: 397.18
• IUPAC Name: 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: Cc1ccc(CN2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)o1
• InChI: InChI=1S/C22H27N3O2S/c1-17-7-8-20(27-17)14-25-11-10-24(13-19(25)9-12-26)15-22-23-21(16-28-22)18-5-3-2-4-6-18/h2-8,16,19,26H,9-15H2,1H3/t19-/m1/s1
• InChIKey: TVQOCMBKQFWOMD-LJQANCHMSA-N
• XLogP: 3.78
• TPSA: 52.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.54
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 98591047) is 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)o1.

What is the InChIKey of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is TVQOCMBKQFWOMD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-17-7-8-20(27-17)14-25-11-10-24(13-19(25)9-12-26)15-22-23-21(16-28-22)18-5-3-2-4-6-18/h2-8,16,19,26H,9-15H2,1H3/t19-/m1/s1.

What are the key properties of 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?

2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 397.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).