2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine

C13H16BrN3S — CID 105139331

IUPAC2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cnc(C)cn1
InChIInChI=1S/C13H16BrN3S/c1-3-15-12(5-11-4-10(14)8-18-11)13-7-16-9(2)6-17-13/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyOSBNUYIQBQGWHO-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine (PubChem CID 105139331) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
PubChem CID105139331
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)cs1)c1cnc(C)cn1
InChIInChI=1S/C13H16BrN3S/c1-3-15-12(5-11-4-10(14)8-18-11)13-7-16-9(2)6-17-13/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyOSBNUYIQBQGWHO-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62600805
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
N-ethyl-2-methoxy-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165697
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105089075
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
[2-(4-bromothiophen-2-yl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261639
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165931
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine (CID 105139331) is 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine is CCNC(Cc1cc(Br)cs1)c1cnc(C)cn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine?
The InChIKey is OSBNUYIQBQGWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-3-15-12(5-11-4-10(14)8-18-11)13-7-16-9(2)6-17-13/h4,6-8,12,15H,3,5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine?
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine has a molecular weight of 326.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 105139331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).