2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H7F2N3O2S — CID 168574536

IUPAC2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(O)ccc(F)c2F)N1
InChIInChI=1S/C10H7F2N3O2S/c11-6-1-2-7(16)5(9(6)12)3-13-15-10-14-8(17)4-18-10/h1-3,16H,4H2,(H,14,15,17)
InChIKeySRGXFTZZWFVBPX-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.22
Rot. Bonds2

About 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574536) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574536
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2c(O)ccc(F)c2F)N1
InChIInChI=1S/C10H7F2N3O2S/c11-6-1-2-7(16)5(9(6)12)3-13-15-10-14-8(17)4-18-10/h1-3,16H,4H2,(H,14,15,17)
InChIKeySRGXFTZZWFVBPX-UHFFFAOYSA-N
XLogP1.22
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.22
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-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574536) is 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2c(O)ccc(F)c2F)N1.
What is the InChIKey of 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SRGXFTZZWFVBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c11-6-1-2-7(16)5(9(6)12)3-13-15-10-14-8(17)4-18-10/h1-3,16H,4H2,(H,14,15,17).
What are the key properties of 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 271.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).