(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C14H15NO4S2 — CID 134103760

IUPAC(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCO/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C14H15NO4S2/c1-4-19-8-12-13(16)15(14(20)21-12)10-7-9(17-2)5-6-11(10)18-3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyCLOSPPPDVFCOQG-XYOKQWHBSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds5

About (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 134103760) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID134103760
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCO/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C14H15NO4S2/c1-4-19-8-12-13(16)15(14(20)21-12)10-7-9(17-2)5-6-11(10)18-3/h5-8H,4H2,1-3H3/b12-8+
InChIKeyCLOSPPPDVFCOQG-XYOKQWHBSA-N
XLogP2.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-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

Related Compounds

(5Z)-3-(2,4-dimethoxyphenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136286
3-(2,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514383
(5E)-3-[4-(4-chlorophenoxy)phenyl]-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 134110184
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352202
3-(2,4-dimethoxyphenyl)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4515079
(5Z)-3-(2,4-dimethoxyphenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528108
5-[(3-chlorophenyl)methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515004
(5Z)-3-(2,4-dimethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528393
(5Z)-5-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126354271
5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377003
5-[(3-bromophenyl)methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515054
(5Z)-5-[(3-bromophenyl)methylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528354

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 134103760) is (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCO/C=C1/SC(=S)N(c2cc(OC)ccc2OC)C1=O.
What is the InChIKey of (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CLOSPPPDVFCOQG-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-4-19-8-12-13(16)15(14(20)21-12)10-7-9(17-2)5-6-11(10)18-3/h5-8H,4H2,1-3H3/b12-8+.
What are the key properties of (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2,5-dimethoxyphenyl)-5-(ethoxymethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 134103760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).