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

C18H12N2O2S3 — CID 5472509

IUPAC(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C2\SCC(=O)N2c2ccccc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C18H12N2O2S3/c21-14-11-24-17(19(14)12-7-3-1-4-8-12)15-16(22)20(18(23)25-15)13-9-5-2-6-10-13/h1-10H,11H2/b17-15+
InChIKeyYCDVRAJZFHLNFN-BMRADRMJSA-N
MW384.51 g/mol
LogP4.00
Rot. Bonds2

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

(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 5472509) has the molecular formula C18H12N2O2S3 and a molecular weight of 384.51 g/mol. Its IUPAC name is (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID5472509
Molecular FormulaC18H12N2O2S3
Molecular Weight384.51 g/mol
Exact Mass384.01
IUPAC Name(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C2\SCC(=O)N2c2ccccc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C18H12N2O2S3/c21-14-11-24-17(19(14)12-7-3-1-4-8-12)15-16(22)20(18(23)25-15)13-9-5-2-6-10-13/h1-10H,11H2/b17-15+
InChIKeyYCDVRAJZFHLNFN-BMRADRMJSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.00
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

(3E)-3-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyrrolidine-2,5-dione
CID 132560312
(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5374480
3-[2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
CID 3336304
(2E)-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetic acid
CID 34552324
5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 173393272
(5E)-5-(3-ethyl-1,3-benzoxazol-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3035161
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2732120
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132560313
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
3-ethyl-5-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3689733
5-(1-ethoxypropylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86733634
3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzonitrile
CID 4224794

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 5472509) is (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C2\SCC(=O)N2c2ccccc2)SC(=S)N1c1ccccc1.
What is the InChIKey of (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YCDVRAJZFHLNFN-BMRADRMJSA-N. The full InChI is InChI=1S/C18H12N2O2S3/c21-14-11-24-17(19(14)12-7-3-1-4-8-12)15-16(22)20(18(23)25-15)13-9-5-2-6-10-13/h1-10H,11H2/b17-15+.
What are the key properties of (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 384.51 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 5472509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).