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

C16H9F2NO2S — CID 25067903

IUPAC(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(F)c3)cc2)S1
InChIInChI=1S/C16H9F2NO2S/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-
InChIKeyZNQGTZDKMKLSCK-AUWJEWJLSA-N
MW317.32 g/mol
LogP3.96
Rot. Bonds2

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

(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25067903) has the molecular formula C16H9F2NO2S and a molecular weight of 317.32 g/mol. Its IUPAC name is (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25067903
Molecular FormulaC16H9F2NO2S
Molecular Weight317.32 g/mol
Exact Mass317.03
IUPAC Name(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(F)c3)cc2)S1
InChIInChI=1S/C16H9F2NO2S/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-
InChIKeyZNQGTZDKMKLSCK-AUWJEWJLSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25068029
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25067908
(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58765653
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378270
[3-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]phenyl]carbamic acid
CID 87953838
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1225147
(5E)-5-[(2-fluoro-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11777520

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25067903) is (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(F)c3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZNQGTZDKMKLSCK-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H9F2NO2S/c17-12-6-5-11(8-13(12)18)10-3-1-9(2-4-10)7-14-15(20)19-16(21)22-14/h1-8H,(H,19,20,21)/b14-7-.
What are the key properties of (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 317.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25067903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).