1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C12H14BrN3S — CID 62846814

IUPAC1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3S/c1-8-5-16-10(6-14-8)7-15-9(2)11-3-4-12(13)17-11/h3-6,9,15H,7H2,1-2H3
InChIKeyISWVKEKJFJIPCQ-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.46
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62846814) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62846814
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3S/c1-8-5-16-10(6-14-8)7-15-9(2)11-3-4-12(13)17-11/h3-6,9,15H,7H2,1-2H3
InChIKeyISWVKEKJFJIPCQ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699190
1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846238
2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
CID 62847163
2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
CID 62847896
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
CID 62846047
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846796
N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62845690
1-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propan-2-amine
CID 62845537

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62846814) is 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2ccc(Br)s2)cn1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is ISWVKEKJFJIPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8-5-16-10(6-14-8)7-15-9(2)11-3-4-12(13)17-11/h3-6,9,15H,7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62846814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).