(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C14H9NO3S2 — CID 6200709

IUPAC(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO3S2/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/b12-8+
InChIKeyCPTJUWSHVPCALW-XYOKQWHBSA-N
MW303.36 g/mol
LogP3.69
Rot. Bonds2

About (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 6200709) has the molecular formula C14H9NO3S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID6200709
Molecular FormulaC14H9NO3S2
Molecular Weight303.36 g/mol
Exact Mass303.00
IUPAC Name(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C14H9NO3S2/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/b12-8+
InChIKeyCPTJUWSHVPCALW-XYOKQWHBSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Rhodanine, 3-(m-hydroxyphenyl)-
CID 211701
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-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837926
3-(4-Hydroxyphenyl)-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1226085
(5Z)-3-(4-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1226086
3-(3-Hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 1235122
3-(3-Methoxyphenyl)-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1590515

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 6200709) is (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is CPTJUWSHVPCALW-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9NO3S2/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/b12-8+.
What are the key properties of (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 303.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-hydroxyphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).