3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one

C10H10N2OS2 — CID 156538242

IUPAC3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccsc2)NC1=S
InChIInChI=1S/C10H10N2OS2/c1-2-12-9(13)8(11-10(12)14)5-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,14)
InChIKeyPABLMIRUROUSRX-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.83
Rot. Bonds2

About 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one

3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one (PubChem CID 156538242) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
PubChem CID156538242
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccsc2)NC1=S
InChIInChI=1S/C10H10N2OS2/c1-2-12-9(13)8(11-10(12)14)5-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,14)
InChIKeyPABLMIRUROUSRX-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-ethyl-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 17278268
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 17123867
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5400787
(5E)-3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 2261082
(5E)-3-ethyl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 17276809
methyl 4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
CID 804620
(5Z)-3-ethyl-5-[(4-methoxy-3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400785
(5Z)-3-ethyl-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400779
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5428348
3-ethyl-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 891186
(4Z)-1-ethyl-4-(thiophen-3-ylmethylidene)imidazolidine-2-thione
CID 172844178
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5408416

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The IUPAC name of 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one (CID 156538242) is 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is CCN1C(=O)C(=Cc2ccsc2)NC1=S.
What is the InChIKey of 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
The InChIKey is PABLMIRUROUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/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-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one?
3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 156538242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).