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

C20H22N2O2S — CID 46992736

IUPAC[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1CO
InChIInChI=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
InChIKeyGMIIBPUYOCLWOR-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.85
Rot. Bonds8

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 CID46992736
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1CO
InChIInChI=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
InChIKeyGMIIBPUYOCLWOR-UHFFFAOYSA-N
XLogP3.85
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
[4-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanol;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 162218063
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 141339180
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
N-benzyl-3-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 50960138
N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 68668977
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
5-[[benzyl-[(2S)-3-hydroxy-2-methylpropyl]amino]methyl]-2-methoxybenzoic acid
CID 95045872
2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 4662287

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).