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

C8H6N2O2S — CID 4065669

IUPAC5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccsc2)N1
InChIInChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)3-5-1-2-13-4-5/h1-4H,(H2,9,10,11,12)
InChIKeyRATVJWNKXTYIHS-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.93
Rot. Bonds1

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

5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 4065669) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID4065669
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccsc2)N1
InChIInChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)3-5-1-2-13-4-5/h1-4H,(H2,9,10,11,12)
InChIKeyRATVJWNKXTYIHS-UHFFFAOYSA-N
XLogP0.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
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

5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(5E)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 697088
(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 166628731
(5E)-5-(thiophen-3-ylmethylidene)-2-thioxoimidazolidin-4-one
CID 754771
(5E)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
CID 6307122
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-(2-Thenylidene) hydantoin
CID 2751720
5-(3-Thienylmethylene)-2-thioxoimidazolidin-4-one
CID 2864916
(5Z)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 124035152
(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 156538240

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (CID 4065669) is 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccsc2)N1.
What is the InChIKey of 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is RATVJWNKXTYIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)3-5-1-2-13-4-5/h1-4H,(H2,9,10,11,12).
What are the key properties of 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 194.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 4065669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).