3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

C10H10N2O2S — CID 957268

IUPAC3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccsc2)C1=O
InChIInChI=1S/C10H10N2O2S/c1-2-12-9(13)8(11-10(12)14)5-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,14)
InChIKeyYSJFNGPICGQHAH-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.66
Rot. Bonds2

About 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione

3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 957268) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID957268
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(=Cc2ccsc2)C1=O
InChIInChI=1S/C10H10N2O2S/c1-2-12-9(13)8(11-10(12)14)5-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,14)
InChIKeyYSJFNGPICGQHAH-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 697088
3-Isobutyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411556
(5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one
CID 754771
5-[(3-Methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 696737
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 1777238
5-(3-Thienylmethylene)-2,4-imidazolidinedione
CID 697090
5-(3-Thienylmethylene)-2-thioxoimidazolidin-4-one
CID 2864916
2,4-Imidazolidinedione, 5-(3-thienylmethylene)-
CID 4065669
3-Ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 4766531
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335
3-Ethyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 6209241
3-n-Butyl-5-(thiophen-2-yl methylene) hydantoin
CID 54116700

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (CID 957268) is 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is CCN1C(=O)NC(=Cc2ccsc2)C1=O.
What is the InChIKey of 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is YSJFNGPICGQHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-12-9(13)8(11-10(12)14)5-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,14).
What are the key properties of 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 957268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).