(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C18H13ClFNO4S — CID 1229519

IUPAC(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O
InChIInChI=1S/C18H13ClFNO4S/c1-25-14-8-12(19)6-11(16(14)22)7-15-17(23)21(18(24)26-15)9-10-2-4-13(20)5-3-10/h2-8,22H,9H2,1H3/b15-7+
InChIKeyBKZCGLHVDIAKRY-VIZOYTHASA-N
MW393.82 g/mol
LogP4.43
Rot. Bonds4

About (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 1229519) has the molecular formula C18H13ClFNO4S and a molecular weight of 393.82 g/mol. Its IUPAC name is (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID1229519
Molecular FormulaC18H13ClFNO4S
Molecular Weight393.82 g/mol
Exact Mass393.02
IUPAC Name(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O
InChIInChI=1S/C18H13ClFNO4S/c1-25-14-8-12(19)6-11(16(14)22)7-15-17(23)21(18(24)26-15)9-10-2-4-13(20)5-3-10/h2-8,22H,9H2,1H3/b15-7+
InChIKeyBKZCGLHVDIAKRY-VIZOYTHASA-N
XLogP4.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 54.43
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'}

Analyze (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-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

Related Compounds

(5E)-3-benzyl-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1341927
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1231237
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1231261
(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1231266
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1231304
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1231439
(5Z)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione
CID 1788213
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1806966
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1340108
3-Allyl-5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1307461
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1338005
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1338684

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 1229519) is (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is COc1cc(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O.
What is the InChIKey of (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BKZCGLHVDIAKRY-VIZOYTHASA-N. The full InChI is InChI=1S/C18H13ClFNO4S/c1-25-14-8-12(19)6-11(16(14)22)7-15-17(23)21(18(24)26-15)9-10-2-4-13(20)5-3-10/h2-8,22H,9H2,1H3/b15-7+.
What are the key properties of (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 393.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1229519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).