3-thiophen-3-ylimidazolidine-2,4-dione

C7H6N2O2S — CID 102323004

IUPAC3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccsc1
InChIInChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)
InChIKeyJAAHYGMLFURMLE-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.80
Rot. Bonds1

About 3-thiophen-3-ylimidazolidine-2,4-dione

3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323004) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323004
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccsc1
InChIInChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)
InChIKeyJAAHYGMLFURMLE-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-thiophen-3-ylurea
CID 136124389
Thienylimidazolidinedione
CID 20299821
1,5,5-Trimethyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 137955635
1-(Tetrahydro-1-methyl-4-oxo-1H-imidazol-2-ylidene)-3-(3-thienyl) urea
CID 135997381
3-Thienylimidazolidinedione
CID 20299823
3-Thiophen-2-ylimidazolidine-2,4-dione
CID 102035525
(5S)-5-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 131070623
5-(2-Fluoroethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
CID 137955928
5-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660255
2-Thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
CID 68708451
2-Thiophen-3-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one;hydrochloride
CID 68710846
4-hydroxy-3-thiophen-3-yl-1H-imidazol-2-one
CID 91425080

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323004) is 3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-thiophen-3-ylimidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is JAAHYGMLFURMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-6-3-8-7(11)9(6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11).
What are the key properties of 3-thiophen-3-ylimidazolidine-2,4-dione?
3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 182.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).