5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione

C9H10N2O2S — CID 102035526

IUPAC5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C9H10N2O2S/c1-9(2)7(12)11(8(13)10-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13)
InChIKeyRPXYFEPPVSWSNH-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.58
Rot. Bonds1

About 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione

5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 102035526) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID102035526
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C9H10N2O2S/c1-9(2)7(12)11(8(13)10-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13)
InChIKeyRPXYFEPPVSWSNH-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.58
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
1-(Tetrahydro-1-methyl-4-oxo-1H-imidazol-2-ylidene)-3-(2-thienyl) urea
CID 135999413
5,5-Dimethyl-3-[4-(trifluoromethyl)thiophen-2-yl]imidazolidine-2,4-dione
CID 141097119
3-Thiophen-2-ylimidazolidine-2,4-dione
CID 102035525
(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
1-(1-Methyl-5-oxopyrrolidin-3-yl)-3-(thiophen-2-yl)urea
CID 71789162
5-Butyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660097

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione (CID 102035526) is 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2cccs2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is RPXYFEPPVSWSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-9(2)7(12)11(8(13)10-9)6-4-3-5-14-6/h3-5H,1-2H3,(H,10,13).
What are the key properties of 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione?
5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 210.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).