1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

C13H18BrN3S — CID 105011239

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc(C)c(Br)s1
InChIInChI=1S/C13H18BrN3S/c1-4-15-10(8-12-16-5-6-17(12)3)11-7-9(2)13(14)18-11/h5-7,10,15H,4,8H2,1-3H3
InChIKeyJLASUDDPGTXSLF-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011239) has the molecular formula C13H18BrN3S and a molecular weight of 328.28 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011239
Molecular FormulaC13H18BrN3S
Molecular Weight328.28 g/mol
Exact Mass327.04
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)c1cc(C)c(Br)s1
InChIInChI=1S/C13H18BrN3S/c1-4-15-10(8-12-16-5-6-17(12)3)11-7-9(2)13(14)18-11/h5-7,10,15H,4,8H2,1-3H3
InChIKeyJLASUDDPGTXSLF-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
N-ethyl-2-(1-methylimidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 105011203
1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996013
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029716
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (CID 105011239) is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1C)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is JLASUDDPGTXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3S/c1-4-15-10(8-12-16-5-6-17(12)3)11-7-9(2)13(14)18-11/h5-7,10,15H,4,8H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 328.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).