2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

C12H20BrN3S — CID 43123646

IUPAC2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2cc(Br)cs2)CC1
InChIInChI=1S/C12H20BrN3S/c1-2-15-3-5-16(6-4-15)11(8-14)12-7-10(13)9-17-12/h7,9,11H,2-6,8,14H2,1H3
InChIKeyREUNDJSNOGXMBO-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 43123646) has the molecular formula C12H20BrN3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID43123646
Molecular FormulaC12H20BrN3S
Molecular Weight318.28 g/mol
Exact Mass317.06
IUPAC Name2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2cc(Br)cs2)CC1
InChIInChI=1S/C12H20BrN3S/c1-2-15-3-5-16(6-4-15)11(8-14)12-7-10(13)9-17-12/h7,9,11H,2-6,8,14H2,1H3
InChIKeyREUNDJSNOGXMBO-UHFFFAOYSA-N
XLogP2.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
1-[2-amino-1-(4-bromothiophen-2-yl)ethyl]-1,4-diazepan-5-one
CID 55134307
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83231104
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(4-bromothiophen-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351062
2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541933
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744534
2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744146

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 43123646) is 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2cc(Br)cs2)CC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is REUNDJSNOGXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3S/c1-2-15-3-5-16(6-4-15)11(8-14)12-7-10(13)9-17-12/h7,9,11H,2-6,8,14H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 318.28 g/mol, XLogP of 2.15, 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)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43123646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).