1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

C9H8N2O3S — CID 4962430

IUPAC1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C9H8N2O3S/c12-7-8(13)11(9(14)10-7)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H,10,12,14)
InChIKeyIDYWZSYRNZHKBR-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.37
Rot. Bonds3

About 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione

1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (PubChem CID 4962430) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
PubChem CID4962430
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C9H8N2O3S/c12-7-8(13)11(9(14)10-7)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H,10,12,14)
InChIKeyIDYWZSYRNZHKBR-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione (CID 4962430) is 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
The InChIKey is IDYWZSYRNZHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-7-8(13)11(9(14)10-7)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H,10,12,14).
What are the key properties of 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione?
1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione has a molecular weight of 224.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 4962430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).