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

C8H6N2O3S — CID 7131443

IUPAC1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C8H6N2O3S/c11-6-7(12)10(8(13)9-6)4-5-2-1-3-14-5/h1-3H,4H2,(H,9,11,13)
InChIKeyXCEJXYMMXQBUBL-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.33
Rot. Bonds2

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

1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 7131443) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID7131443
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2cccs2)C1=O
InChIInChI=1S/C8H6N2O3S/c11-6-7(12)10(8(13)9-6)4-5-2-1-3-14-5/h1-3H,4H2,(H,9,11,13)
InChIKeyXCEJXYMMXQBUBL-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.33
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-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione (CID 7131443) is 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2cccs2)C1=O.
What is the InChIKey of 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is XCEJXYMMXQBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-6-7(12)10(8(13)9-6)4-5-2-1-3-14-5/h1-3H,4H2,(H,9,11,13).
What are the key properties of 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione?
1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 210.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 7131443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).