(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

C14H9ClN2O2S — CID 904180

IUPAC(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H9ClN2O2S/c15-10-4-2-1-3-9(10)12-6-5-8(19-12)7-11-13(18)17-14(20)16-11/h1-7H,(H2,16,17,18,20)/b11-7+
InChIKeyMDWYQYJBHPWFDF-YRNVUSSQSA-N
MW304.76 g/mol
LogP2.95
Rot. Bonds2

About (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 904180) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID904180
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H9ClN2O2S/c15-10-4-2-1-3-9(10)12-6-5-8(19-12)7-11-13(18)17-14(20)16-11/h1-7H,(H2,16,17,18,20)/b11-7+
InChIKeyMDWYQYJBHPWFDF-YRNVUSSQSA-N
XLogP2.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 52.95
H-Bond Donors ≤ 52
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 (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 904180) is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MDWYQYJBHPWFDF-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-10-4-2-1-3-9(10)12-6-5-8(19-12)7-11-13(18)17-14(20)16-11/h1-7H,(H2,16,17,18,20)/b11-7+.
What are the key properties of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 304.76 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 904180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).