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

C10H7ClFN3O2S — CID 168574547

IUPAC2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(O)c(Cl)c2)N1
InChIInChI=1S/C10H7ClFN3O2S/c11-6-1-5(2-7(12)9(6)17)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)
InChIKeyMCAUGHFNGZMCFI-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.74
Rot. Bonds2

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

2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574547) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574547
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC Name2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(O)c(Cl)c2)N1
InChIInChI=1S/C10H7ClFN3O2S/c11-6-1-5(2-7(12)9(6)17)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)
InChIKeyMCAUGHFNGZMCFI-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-Dichloro-2-hydroxybenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135458958
(2E)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066071
(E)-2-((E)-(3-Chloro-4-hydroxybenzylideno)thiazolidin-4-one (3)
CID 137014973
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172942254
2-[(5-Chloro-2-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574400
2-[(3-Chloro-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574533
2-[[3-Chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575227
[2-Chloro-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] trifluoromethanesulfonate
CID 168575258
2-[(3-Chloro-2-fluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575326
2-[(2-Fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575590
2-[(3-Fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575880
2-[(3-Chloro-4-ethoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575993

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574547) is 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)c(O)c(Cl)c2)N1.
What is the InChIKey of 2-[(3-chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MCAUGHFNGZMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c11-6-1-5(2-7(12)9(6)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-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-chloro-5-fluoro-4-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-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).