2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

C13H16N2O2S — CID 112643613

IUPAC2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCc2cncs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-11-3-2-10(4-5-14)13(6-11)17-8-12-7-15-9-18-12/h2-3,6-7,9H,4-5,8,14H2,1H3
InChIKeyDAFHTFLTEUZXSW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 112643613) 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-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID112643613
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCc2cncs2)c1
InChIInChI=1S/C13H16N2O2S/c1-16-11-3-2-10(4-5-14)13(6-11)17-8-12-7-15-9-18-12/h2-3,6-7,9H,4-5,8,14H2,1H3
InChIKeyDAFHTFLTEUZXSW-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

5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115978909
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (CID 112643613) is 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is COc1ccc(CCN)c(OCc2cncs2)c1.
What is the InChIKey of 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is DAFHTFLTEUZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-11-3-2-10(4-5-14)13(6-11)17-8-12-7-15-9-18-12/h2-3,6-7,9H,4-5,8,14H2,1H3.
What are the key properties of 2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
2-[4-methoxy-2-(1,3-thiazol-5-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-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112643613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).