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

C14H18N2O2S — CID 82000485

IUPAC1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1cscn1
InChIInChI=1S/C14H18N2O2S/c1-10(15-2)13-5-4-12(17-3)6-14(13)18-7-11-8-19-9-16-11/h4-6,8-10,15H,7H2,1-3H3
InChIKeyFNPOUFJBYMEKGO-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.01
Rot. Bonds6

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

1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 82000485) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID82000485
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)cc1OCc1cscn1
InChIInChI=1S/C14H18N2O2S/c1-10(15-2)13-5-4-12(17-3)6-14(13)18-7-11-8-19-9-16-11/h4-6,8-10,15H,7H2,1-3H3
InChIKeyFNPOUFJBYMEKGO-UHFFFAOYSA-N
XLogP3.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 82000350
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 43267936
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine (CID 82000485) is 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OC)cc1OCc1cscn1.
What is the InChIKey of 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is FNPOUFJBYMEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(15-2)13-5-4-12(17-3)6-14(13)18-7-11-8-19-9-16-11/h4-6,8-10,15H,7H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine?
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 82000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).