2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine

C13H16N2O2S — CID 61269283

IUPAC2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCc2cscn2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-12-3-2-10(4-5-14)13(6-12)17-7-11-8-18-9-15-11/h2-3,6,8-9H,4-5,7,14H2,1H3
InChIKeyKYOMEMCSGLNZKL-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine

2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine (PubChem CID 61269283) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
PubChem CID61269283
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCc2cscn2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-12-3-2-10(4-5-14)13(6-12)17-7-11-8-18-9-15-11/h2-3,6,8-9H,4-5,7,14H2,1H3
InChIKeyKYOMEMCSGLNZKL-UHFFFAOYSA-N
XLogP2.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 43267936
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 113305341
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
3-[[2-(2-aminoethyl)-5-methoxyphenoxy]methyl]benzonitrile
CID 61269472
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine (CID 61269283) is 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine is COc1ccc(CCN)c(OCc2cscn2)c1.
What is the InChIKey of 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is KYOMEMCSGLNZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-12-3-2-10(4-5-14)13(6-12)17-7-11-8-18-9-15-11/h2-3,6,8-9H,4-5,7,14H2,1H3.
What are the key properties of 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine?
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 264.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 61269283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).