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

C21H28N4O2S — CID 51903545

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

2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 51903545) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 51903545
• Molecular Formula: C21H28N4O2S
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.19
• IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• SMILES: COc1cccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c1
• InChI: InChI=1S/C21H28N4O2S/c1-16-20(25-9-11-28-21(25)22-16)15-23-7-8-24(18(14-23)6-10-26)13-17-4-3-5-19(12-17)27-2/h3-5,9,11-12,18,26H,6-8,10,13-15H2,1-2H3/t18-/m1/s1
• InChIKey: SZPLOCUNWGWUFV-GOSISDBHSA-N
• XLogP: 2.78
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 51903545) is 2-[(2R)-1-[(3-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)c1.

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

The InChIKey is SZPLOCUNWGWUFV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-16-20(25-9-11-28-21(25)22-16)15-23-7-8-24(18(14-23)6-10-26)13-17-4-3-5-19(12-17)27-2/h3-5,9,11-12,18,26H,6-8,10,13-15H2,1-2H3/t18-/m1/s1.

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

2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 400.55 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51903545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).