1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

C13H14Br2N2S — CID 105036072

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H14Br2N2S/c1-8-5-12(18-13(8)15)11(16-2)6-10-4-3-9(14)7-17-10/h3-5,7,11,16H,6H2,1-2H3
InChIKeyQFRQOUOHBOEGEL-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.48
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine

1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (PubChem CID 105036072) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
PubChem CID105036072
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H14Br2N2S/c1-8-5-12(18-13(8)15)11(16-2)6-10-4-3-9(14)7-17-10/h3-5,7,11,16H,6H2,1-2H3
InChIKeyQFRQOUOHBOEGEL-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 105000198

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine (CID 105036072) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
The InChIKey is QFRQOUOHBOEGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-8-5-12(18-13(8)15)11(16-2)6-10-4-3-9(14)7-17-10/h3-5,7,11,16H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine has a molecular weight of 390.14 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105036072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).