5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione

C8H7BrN2O2S — CID 102838029

IUPAC5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCc1sc(C2NC(=O)NC2=O)cc1Br
InChIInChI=1S/C8H7BrN2O2S/c1-3-4(9)2-5(14-3)6-7(12)11-8(13)10-6/h2,6H,1H3,(H2,10,11,12,13)
InChIKeyRCADPLKXZFPCEC-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.70
Rot. Bonds1

About 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione

5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 102838029) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
PubChem CID102838029
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCc1sc(C2NC(=O)NC2=O)cc1Br
InChIInChI=1S/C8H7BrN2O2S/c1-3-4(9)2-5(14-3)6-7(12)11-8(13)10-6/h2,6H,1H3,(H2,10,11,12,13)
InChIKeyRCADPLKXZFPCEC-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-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

2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
5-(3-bromo-4-methylphenyl)imidazolidine-2,4-dione
CID 105401742
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
CID 102845446
4-(4-bromo-5-methylthiophen-2-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 102845439
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670
5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 16783898
(5R)-5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 98150794
ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 19656374
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanol
CID 102845724
5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione (CID 102838029) is 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione is Cc1sc(C2NC(=O)NC2=O)cc1Br.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is RCADPLKXZFPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-3-4(9)2-5(14-3)6-7(12)11-8(13)10-6/h2,6H,1H3,(H2,10,11,12,13).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione?
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione has a molecular weight of 275.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 102838029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).