N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine

C14H18N2OS — CID 79823576

IUPACN-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cccc(OC)c1
InChIInChI=1S/C14H18N2OS/c1-3-15-13(10-14-16-7-8-18-14)11-5-4-6-12(9-11)17-2/h4-9,13,15H,3,10H2,1-2H3
InChIKeyJMGHUQFQHOQVEK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79823576) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID79823576
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cccc(OC)c1
InChIInChI=1S/C14H18N2OS/c1-3-15-13(10-14-16-7-8-18-14)11-5-4-6-12(9-11)17-2/h4-9,13,15H,3,10H2,1-2H3
InChIKeyJMGHUQFQHOQVEK-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
CID 81134144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 79823576) is N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is JMGHUQFQHOQVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-15-13(10-14-16-7-8-18-14)11-5-4-6-12(9-11)17-2/h4-9,13,15H,3,10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79823576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).