2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C16H10ClFN2O2S — CID 135486705

IUPAC2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)c(Cl)c2)SC1=Cc1ccc(O)cc1
InChIInChI=1S/C16H10ClFN2O2S/c17-12-8-10(3-6-13(12)18)19-16-20-15(22)14(23-16)7-9-1-4-11(21)5-2-9/h1-8,21H,(H,19,20,22)
InChIKeyFOLKFXCYLMOWMP-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.08
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135486705) has the molecular formula C16H10ClFN2O2S and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135486705
Molecular FormulaC16H10ClFN2O2S
Molecular Weight348.79 g/mol
Exact Mass348.01
IUPAC Name2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)c(Cl)c2)SC1=Cc1ccc(O)cc1
InChIInChI=1S/C16H10ClFN2O2S/c17-12-8-10(3-6-13(12)18)19-16-20-15(22)14(23-16)7-9-1-4-11(21)5-2-9/h1-8,21H,(H,19,20,22)
InChIKeyFOLKFXCYLMOWMP-UHFFFAOYSA-N
XLogP4.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one 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 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135486705) is 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(F)c(Cl)c2)SC1=Cc1ccc(O)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is FOLKFXCYLMOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2S/c17-12-8-10(3-6-13(12)18)19-16-20-15(22)14(23-16)7-9-1-4-11(21)5-2-9/h1-8,21H,(H,19,20,22).
What are the key properties of 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 348.79 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).