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

C14H9NO2S3 — CID 1226085

IUPAC(5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(O)cc1
InChIInChI=1S/C14H9NO2S3/c16-10-5-3-9(4-6-10)15-13(17)12(20-14(15)18)8-11-2-1-7-19-11/h1-8,16H/b12-8+
InChIKeyLORXXJYPYYZHRJ-XYOKQWHBSA-N
MW319.43 g/mol
LogP3.86
Rot. Bonds2

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

(5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1226085) has the molecular formula C14H9NO2S3 and a molecular weight of 319.43 g/mol. Its IUPAC name is (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1226085
Molecular FormulaC14H9NO2S3
Molecular Weight319.43 g/mol
Exact Mass318.98
IUPAC Name(5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(O)cc1
InChIInChI=1S/C14H9NO2S3/c16-10-5-3-9(4-6-10)15-13(17)12(20-14(15)18)8-11-2-1-7-19-11/h1-8,16H/b12-8+
InChIKeyLORXXJYPYYZHRJ-XYOKQWHBSA-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'}

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Related Compounds

3-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone
CID 210591
N-(4-hydroxyphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
CID 1923746
N-(4-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1921488
(5Z)-3-(3-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1594444
(Z)-3-(4-hydroxyphenyl)-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione
CID 1979369
N-(2-hydroxyphenyl)-4-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]butanamide
CID 1584589
N-(2-Hydroxy-phenyl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1584588
N-(3-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1636992
N-(2-Hydroxy-phenyl)-3-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionamide
CID 1922332
N-(4-hydroxyphenyl)-4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
CID 1923747
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 2454926
N-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 3506103

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 1226085) is (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(O)cc1.
What is the InChIKey of (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LORXXJYPYYZHRJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9NO2S3/c16-10-5-3-9(4-6-10)15-13(17)12(20-14(15)18)8-11-2-1-7-19-11/h1-8,16H/b12-8+.
What are the key properties of (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-(4-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 (5E)-3-(4-hydroxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1226085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).