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

C16H9ClFNO2S — CID 25068029

IUPAC(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)cc2)S1
InChIInChI=1S/C16H9ClFNO2S/c17-12-8-11(5-6-13(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-
InChIKeyKALQUHMXFRLVIR-AUWJEWJLSA-N
MW333.77 g/mol
LogP4.47
Rot. Bonds2

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

(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25068029) has the molecular formula C16H9ClFNO2S and a molecular weight of 333.77 g/mol. Its IUPAC name is (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25068029
Molecular FormulaC16H9ClFNO2S
Molecular Weight333.77 g/mol
Exact Mass333.00
IUPAC Name(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)cc2)S1
InChIInChI=1S/C16H9ClFNO2S/c17-12-8-11(5-6-13(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-
InChIKeyKALQUHMXFRLVIR-AUWJEWJLSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.47
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-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1225147
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25067908
(5Z)-2-(2,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490686
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
4-[(Z)-[2-(3-chloro-4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766166
(5E)-5-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]-3-fluorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87380959
(5Z)-5-[[4-[3-(1-adamantyl)-5-fluoro-4-hydroxyphenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58765653
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378270
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379699

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25068029) is (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KALQUHMXFRLVIR-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H9ClFNO2S/c17-12-8-11(5-6-13(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-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 333.77 g/mol, XLogP of 4.47, 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-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).