2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine

C11H12BrN3S — CID 62600805

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cnccn1
InChIInChI=1S/C11H12BrN3S/c1-13-10(11-6-14-2-3-15-11)5-9-4-8(12)7-16-9/h2-4,6-7,10,13H,5H2,1H3
InChIKeyMQMUDNLQDRNLHW-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine

2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine (PubChem CID 62600805) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
PubChem CID62600805
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cnccn1
InChIInChI=1S/C11H12BrN3S/c1-13-10(11-6-14-2-3-15-11)5-9-4-8(12)7-16-9/h2-4,6-7,10,13H,5H2,1H3
InChIKeyMQMUDNLQDRNLHW-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62602058
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105139331
[1-pyrazin-2-yl-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105203291
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
[2-(4-bromothiophen-2-yl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261639
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine (CID 62600805) is 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine is CNC(Cc1cc(Br)cs1)c1cnccn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine?
The InChIKey is MQMUDNLQDRNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-13-10(11-6-14-2-3-15-11)5-9-4-8(12)7-16-9/h2-4,6-7,10,13H,5H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine has a molecular weight of 298.21 g/mol, XLogP of 2.80, 4 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-methyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 62600805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).