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

C16H11NOS2 — CID 2302276

IUPAC(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyTZPSGDWUSVAMNF-SDNWHVSQSA-N
MW297.40 g/mol
LogP4.09
Rot. Bonds2

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

(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2302276) has the molecular formula C16H11NOS2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2302276
Molecular FormulaC16H11NOS2
Molecular Weight297.40 g/mol
Exact Mass297.03
IUPAC Name(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1
InChIInChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyTZPSGDWUSVAMNF-SDNWHVSQSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2302276) is (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is TZPSGDWUSVAMNF-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H/b14-11+.
What are the key properties of (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 297.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).