(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C12H11NO4S — CID 1379922

IUPAC(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)NC2=O)ccc1O
InChIInChI=1S/C12H11NO4S/c1-2-17-9-5-7(3-4-8(9)14)6-10-11(15)13-12(16)18-10/h3-6,14H,2H2,1H3,(H,13,15,16)/b10-6-
InChIKeyHTFKYUIYCWNLNL-POHAHGRESA-N
MW265.29 g/mol
LogP2.11
Rot. Bonds3

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

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1379922) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1379922
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)NC2=O)ccc1O
InChIInChI=1S/C12H11NO4S/c1-2-17-9-5-7(3-4-8(9)14)6-10-11(15)13-12(16)18-10/h3-6,14H,2H2,1H3,(H,13,15,16)/b10-6-
InChIKeyHTFKYUIYCWNLNL-POHAHGRESA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

Ferulamide
CID 6433734
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 2295463
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
(Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione
CID 5708137
5-[3-(Benzyloxy)-4-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1350270
(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1352523
5-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 233073
5-(4-Hydroxy-3-methoxybenzylidene)rhodanine
CID 2831603
(5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one
CID 1268919
(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1389487
5-{3-[3-(2-Methoxyphenoxy)propoxy]benzylidene}-1,3-thiazolidine-2,4-dione
CID 2226770

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1379922) is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HTFKYUIYCWNLNL-POHAHGRESA-N. The full InChI is InChI=1S/C12H11NO4S/c1-2-17-9-5-7(3-4-8(9)14)6-10-11(15)13-12(16)18-10/h3-6,14H,2H2,1H3,(H,13,15,16)/b10-6-.
What are the key properties of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 265.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1379922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).