(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

C20H17NO4S — CID 50872377

IUPAC(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H17NO4S/c1-3-7-14-10-13(11-16(25-2)18(14)22)12-17-19(23)21(20(24)26-17)15-8-5-4-6-9-15/h3-6,8-12,22H,1,7H2,2H3/b17-12+
InChIKeyLAPUDBMASNOLQQ-SFQUDFHCSA-N
MW367.43 g/mol
LogP4.37
Rot. Bonds5

About (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 50872377) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID50872377
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESC=CCc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(OC)c1O
InChIInChI=1S/C20H17NO4S/c1-3-7-14-10-13(11-16(25-2)18(14)22)12-17-19(23)21(20(24)26-17)15-8-5-4-6-9-15/h3-6,8-12,22H,1,7H2,2H3/b17-12+
InChIKeyLAPUDBMASNOLQQ-SFQUDFHCSA-N
XLogP4.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929954
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21377102
tert-butyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 17046918
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6200726
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126030124
(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126198342
5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 76659779
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873564
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486853
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837520
2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126219706
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-(3-methoxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 2720807

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 50872377) is (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is C=CCc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(OC)c1O.
What is the InChIKey of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is LAPUDBMASNOLQQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-3-7-14-10-13(11-16(25-2)18(14)22)12-17-19(23)21(20(24)26-17)15-8-5-4-6-9-15/h3-6,8-12,22H,1,7H2,2H3/b17-12+.
What are the key properties of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 50872377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).