2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol

C18H28N4OS — CID 51905413

About 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 51905413) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 51905413
• Molecular Formula: C18H28N4OS
• Molecular Weight: 348.52 g/mol
• Exact Mass: 348.20
• IUPAC Name: 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• SMILES: CC(C)=CCN1CCN(Cc2c(C)nc3sccn23)C[C@H]1CCO
• InChI: InChI=1S/C18H28N4OS/c1-14(2)4-6-21-8-7-20(12-16(21)5-10-23)13-17-15(3)19-18-22(17)9-11-24-18/h4,9,11,16,23H,5-8,10,12-13H2,1-3H3/t16-/m1/s1
• InChIKey: PVMKWYZVTWMGAW-MRXNPFEDSA-N
• XLogP: 2.54
• TPSA: 44.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.52
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 51905413) is 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is CC(C)=CCN1CCN(Cc2c(C)nc3sccn23)C[C@H]1CCO.

What is the InChIKey of 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is PVMKWYZVTWMGAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-14(2)4-6-21-8-7-20(12-16(21)5-10-23)13-17-15(3)19-18-22(17)9-11-24-18/h4,9,11,16,23H,5-8,10,12-13H2,1-3H3/t16-/m1/s1.

What are the key properties of 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?

2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 348.52 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-(3-methylbut-2-enyl)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51905413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).