5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione

C10H12N2O2S — CID 16660251

IUPAC5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,14)
InChIKeyLVDJXOXVHYYXPP-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.83
Rot. Bonds2

About 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione

5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 16660251) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID16660251
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,14)
InChIKeyLVDJXOXVHYYXPP-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione (CID 16660251) is 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(c2cccs2)C1=O.
What is the InChIKey of 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is LVDJXOXVHYYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,14).
What are the key properties of 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione?
5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 224.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 16660251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).