5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione

C9H11N3O2S — CID 82287581

IUPAC5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESNCCC1(c2cccs2)NC(=O)NC1=O
InChIInChI=1S/C9H11N3O2S/c10-4-3-9(6-2-1-5-15-6)7(13)11-8(14)12-9/h1-2,5H,3-4,10H2,(H2,11,12,13,14)
InChIKeyVWHRUSFOFYRRLV-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.13
Rot. Bonds3

About 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione

5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 82287581) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID82287581
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESNCCC1(c2cccs2)NC(=O)NC1=O
InChIInChI=1S/C9H11N3O2S/c10-4-3-9(6-2-1-5-15-6)7(13)11-8(14)12-9/h1-2,5H,3-4,10H2,(H2,11,12,13,14)
InChIKeyVWHRUSFOFYRRLV-UHFFFAOYSA-N
XLogP0.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 82287581) is 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione is NCCC1(c2cccs2)NC(=O)NC1=O.
What is the InChIKey of 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is VWHRUSFOFYRRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-4-3-9(6-2-1-5-15-6)7(13)11-8(14)12-9/h1-2,5H,3-4,10H2,(H2,11,12,13,14).
What are the key properties of 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 225.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 82287581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).