2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H7ClFN3O2S — CID 168574533

IUPAC2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)cc(Cl)c2O)N1
InChIInChI=1S/C10H7ClFN3O2S/c11-7-2-6(12)1-5(9(7)17)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)
InChIKeyIINVOTDSTBTDAT-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.74
Rot. Bonds2

About 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574533) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574533
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC Name2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)cc(Cl)c2O)N1
InChIInChI=1S/C10H7ClFN3O2S/c11-7-2-6(12)1-5(9(7)17)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)
InChIKeyIINVOTDSTBTDAT-UHFFFAOYSA-N
XLogP1.74
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574533) is 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)cc(Cl)c2O)N1.
What is the InChIKey of 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IINVOTDSTBTDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c11-7-2-6(12)1-5(9(7)17)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16).
What are the key properties of 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 287.70 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).