[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol

C₂₀H₂₂N₂O₂S — CID 46992736

About [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol

[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol (PubChem CID 46992736) has the molecular formula C₂₀H₂₂N₂O₂S and a molecular weight of 354.48 g/mol. Its IUPAC name is [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol.

Molecular Properties

• Compound Name: [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
• PubChem CID: 46992736
• Molecular Formula: C₂₀H₂₂N₂O₂S
• Molecular Weight: 354.48 g/mol
• Exact Mass: 354.14
• IUPAC Name: [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
• SMILES: COc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1CO
• InChI: InChI=1S/C20H22N2O2S/c1-24-19-8-7-17(11-18(19)15-23)13-22(14-20-21-9-10-25-20)12-16-5-3-2-4-6-16/h2-11,23H,12-15H2,1H3
• InChIKey: GMIIBPUYOCLWOR-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol?

The IUPAC name of [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol (CID 46992736) is [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol.

What is the SMILES notation for [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol?

The canonical SMILES for [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol is COc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1CO.

What is the InChIKey of [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol?

The InChIKey is GMIIBPUYOCLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-24-19-8-7-17(11-18(19)15-23)13-22(14-20-21-9-10-25-20)12-16-5-3-2-4-6-16/h2-11,23H,12-15H2,1H3.

What are the key properties of [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol?

[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol has a molecular weight of 354.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 46992736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46992736 — identifiers, structure, computed properties (public domain)

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