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

C14H9NO2S3 — CID 1366283

IUPAC3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2cccs2)SC(=S)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO2S3/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H
InChIKeyPORBNNZWEVXVQP-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.86
Rot. Bonds2

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

3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1366283) has the molecular formula C14H9NO2S3 and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1366283
Molecular FormulaC14H9NO2S3
Molecular Weight319.43 g/mol
Exact Mass318.98
IUPAC Name3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2cccs2)SC(=S)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO2S3/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H
InChIKeyPORBNNZWEVXVQP-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
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'}

Analyze 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-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

Rhodanine, 3-(m-hydroxyphenyl)-
CID 211701
N-(4-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1921488
N-(3-Hydroxy-phenyl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1921965
(5Z)-3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1594444
N-(3-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1636992
(Z)-3-(4-hydroxyphenyl)-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione
CID 1979369
2-(3-hydroxyphenylamino)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 135522709
N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 728641
N-(3-fluoro-4-hydroxyphenyl)-N-thiophen-2-ylacetamide
CID 70450530
(5Z)-5-(ethoxymethylidene)-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5383322
N-(3-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837926
3-(4-Hydroxyphenyl)-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1226085

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 1366283) is 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1C(=Cc2cccs2)SC(=S)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PORBNNZWEVXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S3/c16-10-4-1-3-9(7-10)15-13(17)12(20-14(15)18)8-11-5-2-6-19-11/h1-8,16H.
What are the key properties of 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1366283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).