(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C8H3Br2NO2S2 — CID 1381453

IUPAC(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C8H3Br2NO2S2/c9-4-1-3(13-6(4)10)2-5-7(12)11-8(14)15-5/h1-2H,(H,11,12,14)/b5-2+
InChIKeyQZJDFLJYJWSQMW-GORDUTHDSA-N
MW369.06 g/mol
LogP3.29
Rot. Bonds1

About (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1381453) has the molecular formula C8H3Br2NO2S2 and a molecular weight of 369.06 g/mol. Its IUPAC name is (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1381453
Molecular FormulaC8H3Br2NO2S2
Molecular Weight369.06 g/mol
Exact Mass366.80
IUPAC Name(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C8H3Br2NO2S2/c9-4-1-3(13-6(4)10)2-5-7(12)11-8(14)15-5/h1-2H,(H,11,12,14)/b5-2+
InChIKeyQZJDFLJYJWSQMW-GORDUTHDSA-N
XLogP3.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'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-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1381453) is (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1cc(Br)c(Br)o1.
What is the InChIKey of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QZJDFLJYJWSQMW-GORDUTHDSA-N. The full InChI is InChI=1S/C8H3Br2NO2S2/c9-4-1-3(13-6(4)10)2-5-7(12)11-8(14)15-5/h1-2H,(H,11,12,14)/b5-2+.
What are the key properties of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 369.06 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1381453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).