(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C17H9NO3S2 — CID 5374480

IUPAC(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1O/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C17H9NO3S2/c19-15-14(13-11-8-4-5-9-12(11)16(20)21-13)23-17(22)18(15)10-6-2-1-3-7-10/h1-9H/b14-13+
InChIKeyRWMYSDXYRGRRHU-BUHFOSPRSA-N
MW339.40 g/mol
LogP3.59
Rot. Bonds1

About (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 5374480) has the molecular formula C17H9NO3S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID5374480
Molecular FormulaC17H9NO3S2
Molecular Weight339.40 g/mol
Exact Mass339.00
IUPAC Name(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1O/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C17H9NO3S2/c19-15-14(13-11-8-4-5-9-12(11)16(20)21-13)23-17(22)18(15)10-6-2-1-3-7-10/h1-9H/b14-13+
InChIKeyRWMYSDXYRGRRHU-BUHFOSPRSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5472509
(7Z)-7-[3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]furo[3,4-b]pyridin-5-one
CID 75539366
(3E)-3-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyrrolidine-2,5-dione
CID 132560312
(5E)-5-(3-ethyl-1,3-benzoxazol-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3035161
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132560313
5-(1-ethoxypropylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86733634
5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 173393272
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(2E)-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetic acid
CID 34552324
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2732120
3-(4-methylphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4267809
(5Z)-3-phenyl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1390291

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 5374480) is (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1O/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RWMYSDXYRGRRHU-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H9NO3S2/c19-15-14(13-11-8-4-5-9-12(11)16(20)21-13)23-17(22)18(15)10-6-2-1-3-7-10/h1-9H/b14-13+.
What are the key properties of (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 5374480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).