(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C15H11NOS3 — CID 2260462

IUPAC(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccccc1
InChIInChI=1S/C15H11NOS3/c17-14-13(8-12-6-7-19-10-12)20-15(18)16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2/b13-8+
InChIKeyXLYSLLQYHRXNPV-MDWZMJQESA-N
MW317.46 g/mol
LogP4.15
Rot. Bonds3

About (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2260462) has the molecular formula C15H11NOS3 and a molecular weight of 317.46 g/mol. Its IUPAC name is (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2260462
Molecular FormulaC15H11NOS3
Molecular Weight317.46 g/mol
Exact Mass317.00
IUPAC Name(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccccc1
InChIInChI=1S/C15H11NOS3/c17-14-13(8-12-6-7-19-10-12)20-15(18)16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2/b13-8+
InChIKeyXLYSLLQYHRXNPV-MDWZMJQESA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
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)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 2260462) is (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccccc1.
What is the InChIKey of (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is XLYSLLQYHRXNPV-MDWZMJQESA-N. The full InChI is InChI=1S/C15H11NOS3/c17-14-13(8-12-6-7-19-10-12)20-15(18)16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2/b13-8+.
What are the key properties of (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 317.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2260462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).