(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H7F2NO3S — CID 6089668

IUPAC(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)S1
InChIInChI=1S/C14H7F2NO3S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-
InChIKeyFWEPNYNOKOHTNJ-SDQBBNPISA-N
MW307.28 g/mol
LogP3.55
Rot. Bonds2

About (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6089668) has the molecular formula C14H7F2NO3S and a molecular weight of 307.28 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6089668
Molecular FormulaC14H7F2NO3S
Molecular Weight307.28 g/mol
Exact Mass307.01
IUPAC Name(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)S1
InChIInChI=1S/C14H7F2NO3S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-
InChIKeyFWEPNYNOKOHTNJ-SDQBBNPISA-N
XLogP3.55
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.55
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)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-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)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 6089668) is (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FWEPNYNOKOHTNJ-SDQBBNPISA-N. The full InChI is InChI=1S/C14H7F2NO3S/c15-7-1-3-9(10(16)5-7)11-4-2-8(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)/b12-6-.
What are the key properties of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 307.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6089668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).