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

C19H16FNO4S — CID 1231304

IUPAC(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O
InChIInChI=1S/C19H16FNO4S/c1-2-25-16-9-13(5-8-15(16)22)10-17-18(23)21(19(24)26-17)11-12-3-6-14(20)7-4-12/h3-10,22H,2,11H2,1H3/b17-10-
InChIKeyUBDYBMASLMDBDV-YVLHZVERSA-N
MW373.41 g/mol
LogP4.17
Rot. Bonds5

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

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 1231304) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID1231304
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O
InChIInChI=1S/C19H16FNO4S/c1-2-25-16-9-13(5-8-15(16)22)10-17-18(23)21(19(24)26-17)11-12-3-6-14(20)7-4-12/h3-10,22H,2,11H2,1H3/b17-10-
InChIKeyUBDYBMASLMDBDV-YVLHZVERSA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 1231304) is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UBDYBMASLMDBDV-YVLHZVERSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-2-25-16-9-13(5-8-15(16)22)10-17-18(23)21(19(24)26-17)11-12-3-6-14(20)7-4-12/h3-10,22H,2,11H2,1H3/b17-10-.
What are the key properties of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1231304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).