4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione

C11H10Br2N2O3S — CID 66068729

IUPAC4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H10Br2N2O3S/c1-2-6-10(17)14-8(16)4-15(6)11(18)7-3-5(12)9(13)19-7/h3,6H,2,4H2,1H3,(H,14,16,17)
InChIKeyIWBRFFISQPJIPB-UHFFFAOYSA-N
MW410.09 g/mol
LogP2.15
Rot. Bonds2

About 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione

4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068729) has the molecular formula C11H10Br2N2O3S and a molecular weight of 410.09 g/mol. Its IUPAC name is 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID66068729
Molecular FormulaC11H10Br2N2O3S
Molecular Weight410.09 g/mol
Exact Mass407.88
IUPAC Name4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H10Br2N2O3S/c1-2-6-10(17)14-8(16)4-15(6)11(18)7-3-5(12)9(13)19-7/h3,6H,2,4H2,1H3,(H,14,16,17)
InChIKeyIWBRFFISQPJIPB-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione 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

3-ethyl-4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66068906
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-[2-(4-bromophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067758
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione (CID 66068729) is 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is IWBRFFISQPJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O3S/c1-2-6-10(17)14-8(16)4-15(6)11(18)7-3-5(12)9(13)19-7/h3,6H,2,4H2,1H3,(H,14,16,17).
What are the key properties of 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 410.09 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophene-2-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).