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

C7H6N2O2S — CID 102035525

IUPAC3-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccs1
InChIInChI=1S/C7H6N2O2S/c10-5-4-8-7(11)9(5)6-2-1-3-12-6/h1-3H,4H2,(H,8,11)
InChIKeySGFXSGQGUWWTIA-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.80
Rot. Bonds1

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

3-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 102035525) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID102035525
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-thiophen-2-ylimidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cccs1
InChIInChI=1S/C7H6N2O2S/c10-5-4-8-7(11)9(5)6-2-1-3-12-6/h1-3H,4H2,(H,8,11)
InChIKeySGFXSGQGUWWTIA-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-2-ylurea
CID 136106119
(S)-1-methyl-4-[3-(2-thienyl)ureido]-2-pyrrolidinone
CID 95985113
Thienylimidazolidinedione
CID 20299821
Thienyl-uracil
CID 69134245
3-(Thien-3-yl)imidazolidine-2,4-dione
CID 102323004
1-(Tetrahydro-1-methyl-4-oxo-1H-imidazol-2-ylidene)-3-(2-thienyl) urea
CID 135999413
3-Thienylimidazolidinedione
CID 20299823
5,5-Dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035526
(5S)-5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035528
1-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 130904490
(5S)-5-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 131070623
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
CID 134856919

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-thiophen-2-ylimidazolidine-2,4-dione (CID 102035525) is 3-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-thiophen-2-ylimidazolidine-2,4-dione is O=C1CNC(=O)N1c1cccs1.
What is the InChIKey of 3-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is SGFXSGQGUWWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-5-4-8-7(11)9(5)6-2-1-3-12-6/h1-3H,4H2,(H,8,11).
What are the key properties of 3-thiophen-2-ylimidazolidine-2,4-dione?
3-thiophen-2-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-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102035525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).