N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine

C15H20N2O2S — CID 82193935

IUPACN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CCOc2ccccc2OC)n1
InChIInChI=1S/C15H20N2O2S/c1-3-16-10-12-11-20-15(17-12)8-9-19-14-7-5-4-6-13(14)18-2/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyIXDFVJGIRFZLLS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.88
Rot. Bonds8

About N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 82193935) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID82193935
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CCOc2ccccc2OC)n1
InChIInChI=1S/C15H20N2O2S/c1-3-16-10-12-11-20-15(17-12)8-9-19-14-7-5-4-6-13(14)18-2/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyIXDFVJGIRFZLLS-UHFFFAOYSA-N
XLogP2.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
N-[[3-fluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 107687012
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
N-[[2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82516537
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine (CID 82193935) is N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(CCOc2ccccc2OC)n1.
What is the InChIKey of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is IXDFVJGIRFZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-16-10-12-11-20-15(17-12)8-9-19-14-7-5-4-6-13(14)18-2/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82193935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).