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

C23H32N4O2S — CID 45215294

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

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45215294) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 45215294
• Molecular Formula: C23H32N4O2S
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol
• SMILES: COc1ccc(CN2CCN(Cc3c(C)nc4sccn34)CC2CCO)c(C)c1C
• InChI: InChI=1S/C23H32N4O2S/c1-16-17(2)22(29-4)6-5-19(16)13-26-9-8-25(14-20(26)7-11-28)15-21-18(3)24-23-27(21)10-12-30-23/h5-6,10,12,20,28H,7-9,11,13-15H2,1-4H3
• InChIKey: CMSPPSKWMRXONZ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 53.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 45215294) is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol.

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

The canonical SMILES for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3c(C)nc4sccn34)CC2CCO)c(C)c1C.

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

The InChIKey is CMSPPSKWMRXONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-16-17(2)22(29-4)6-5-19(16)13-26-9-8-25(14-20(26)7-11-28)15-21-18(3)24-23-27(21)10-12-30-23/h5-6,10,12,20,28H,7-9,11,13-15H2,1-4H3.

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

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 428.60 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45215294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).