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

C10H10N2OS2 — CID 6209241

IUPAC(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccs2)NC1=S
InChIInChI=1S/C10H10N2OS2/c1-2-12-9(13)8(11-10(12)14)6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,14)/b8-6-
InChIKeyOJBKLEQQOXUUPB-VURMDHGXSA-N
MW238.34 g/mol
LogP1.83
Rot. Bonds2

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

(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 6209241) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID6209241
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccs2)NC1=S
InChIInChI=1S/C10H10N2OS2/c1-2-12-9(13)8(11-10(12)14)6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,14)/b8-6-
InChIKeyOJBKLEQQOXUUPB-VURMDHGXSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 6209241) is (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is CCN1C(=O)/C(=C/c2cccs2)NC1=S.
What is the InChIKey of (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is OJBKLEQQOXUUPB-VURMDHGXSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-2-12-9(13)8(11-10(12)14)6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,14)/b8-6-.
What are the key properties of (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-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 (5Z)-3-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 6209241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).