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

C8H8N2O2S — CID 130904490

IUPAC1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C8H8N2O2S/c1-9-5-6(11)10(8(9)12)7-3-2-4-13-7/h2-4H,5H2,1H3
InChIKeyNHTDJMOXHHQJSS-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.15
Rot. Bonds1

About 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione

1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 130904490) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID130904490
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cccs2)C1=O
InChIInChI=1S/C8H8N2O2S/c1-9-5-6(11)10(8(9)12)7-3-2-4-13-7/h2-4H,5H2,1H3
InChIKeyNHTDJMOXHHQJSS-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
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
1,5,5-Trimethyl-3-thiophen-3-ylimidazolidine-2,4-dione
CID 137955635
1-(Tetrahydro-1-methyl-4-oxo-1H-imidazol-2-ylidene)-3-(2-thienyl) urea
CID 135999413
3-Thiophen-2-ylimidazolidine-2,4-dione
CID 102035525
5,5-Dimethyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035526
(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 102035527
(5S)-5-propan-2-yl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035528
(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
N-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 12622323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione (CID 130904490) is 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione is CN1CC(=O)N(c2cccs2)C1=O.
What is the InChIKey of 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is NHTDJMOXHHQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-9-5-6(11)10(8(9)12)7-3-2-4-13-7/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione?
1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 196.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 130904490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).