(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione

C19H17NO3S — CID 18836972

IUPAC(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O
InChIInChI=1S/C19H17NO3S/c1-3-13-6-4-5-7-16(13)20-18(22)17(24-19(20)23)12(2)14-8-10-15(21)11-9-14/h4-11,21H,3H2,1-2H3/b17-12-
InChIKeyZAJWWSYQLIVVTA-ATVHPVEESA-N
MW339.42 g/mol
LogP4.59
Rot. Bonds3

About (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18836972) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18836972
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O
InChIInChI=1S/C19H17NO3S/c1-3-13-6-4-5-7-16(13)20-18(22)17(24-19(20)23)12(2)14-8-10-15(21)11-9-14/h4-11,21H,3H2,1-2H3/b17-12-
InChIKeyZAJWWSYQLIVVTA-ATVHPVEESA-N
XLogP4.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione 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 (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione (CID 18836972) is (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione is CCc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(O)cc2)C1=O.
What is the InChIKey of (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZAJWWSYQLIVVTA-ATVHPVEESA-N. The full InChI is InChI=1S/C19H17NO3S/c1-3-13-6-4-5-7-16(13)20-18(22)17(24-19(20)23)12(2)14-8-10-15(21)11-9-14/h4-11,21H,3H2,1-2H3/b17-12-.
What are the key properties of (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 339.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-ethylphenyl)-5-[1-(4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).