1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone

C11H14Br2N2OS — CID 170861161

IUPAC1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2scc(Br)c2Br)CC1
InChIInChI=1S/C11H14Br2N2OS/c1-14-2-4-15(5-3-14)6-9(16)11-10(13)8(12)7-17-11/h7H,2-6H2,1H3
InChIKeyQLIBEGAMUHKTBB-UHFFFAOYSA-N
MW382.12 g/mol
LogP2.70
Rot. Bonds3

About 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861161) has the molecular formula C11H14Br2N2OS and a molecular weight of 382.12 g/mol. Its IUPAC name is 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861161
Molecular FormulaC11H14Br2N2OS
Molecular Weight382.12 g/mol
Exact Mass379.92
IUPAC Name1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2scc(Br)c2Br)CC1
InChIInChI=1S/C11H14Br2N2OS/c1-14-2-4-15(5-3-14)6-9(16)11-10(13)8(12)7-17-11/h7H,2-6H2,1H3
InChIKeyQLIBEGAMUHKTBB-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 62967019
1-(5-Bromothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 62968412
1-(4-Bromo-2-thienyl)-2-(diallylamino)ethanone
CID 86697888
1-(5-Bromothiophen-2-yl)-2-piperidin-1-ylethanone
CID 43227128
1-(5-Bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43227274
1-(5-Bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 43227506
2-(4-Acetylpiperazin-1-yl)-1-(5-bromothiophen-2-yl)ethanone
CID 43227756
1-(5-Bromothiophen-2-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43228768
1-(3-Bromothiophen-2-yl)-2-[butyl(methyl)amino]ethanone
CID 43794124
1-(3-Bromothiophen-2-yl)-2-[butyl(ethyl)amino]ethanone
CID 43794186
1-(3-Bromothiophen-2-yl)-2-[cyclohexyl(ethyl)amino]ethanone
CID 43794256
2-(4-Acetylpiperazin-1-yl)-1-(3-bromothiophen-2-yl)ethanone
CID 43794267

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861161) is 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2scc(Br)c2Br)CC1.
What is the InChIKey of 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QLIBEGAMUHKTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS/c1-14-2-4-15(5-3-14)6-9(16)11-10(13)8(12)7-17-11/h7H,2-6H2,1H3.
What are the key properties of 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 382.12 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).