(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C10H9NO2S2 — CID 2259986

IUPAC(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccco2)SC1=S
InChIInChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)14)6-7-4-3-5-13-7/h3-6H,2H2,1H3/b8-6+
InChIKeyNKTBMYLYHOYUOT-SOFGYWHQSA-N
MW239.32 g/mol
LogP2.50
Rot. Bonds2

About (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2259986) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2259986
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccco2)SC1=S
InChIInChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)14)6-7-4-3-5-13-7/h3-6H,2H2,1H3/b8-6+
InChIKeyNKTBMYLYHOYUOT-SOFGYWHQSA-N
XLogP2.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.50
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'}

Analyze (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2259986) is (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccco2)SC1=S.
What is the InChIKey of (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NKTBMYLYHOYUOT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-2-11-9(12)8(15-10(11)14)6-7-4-3-5-13-7/h3-6H,2H2,1H3/b8-6+.
What are the key properties of (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 239.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2259986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).