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

C10H7BrFN3O2S — CID 168574580

IUPAC2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(Br)cc2O)N1
InChIInChI=1S/C10H7BrFN3O2S/c11-6-2-8(16)5(1-7(6)12)3-13-15-10-14-9(17)4-18-10/h1-3,16H,4H2,(H,14,15,17)
InChIKeyXNIQVLUGMZQXKV-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.85
Rot. Bonds2

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

2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574580) has the molecular formula C10H7BrFN3O2S and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574580
Molecular FormulaC10H7BrFN3O2S
Molecular Weight332.15 g/mol
Exact Mass330.94
IUPAC Name2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(F)c(Br)cc2O)N1
InChIInChI=1S/C10H7BrFN3O2S/c11-6-2-8(16)5(1-7(6)12)3-13-15-10-14-9(17)4-18-10/h1-3,16H,4H2,(H,14,15,17)
InChIKeyXNIQVLUGMZQXKV-UHFFFAOYSA-N
XLogP1.85
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.85
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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Related Compounds

(E)-2-((E)-(5-bromo-2-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135488525
(E)-2-((E)-(3,5-dibromo-2-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135648558
2-[(E)-2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazino]-1,3-thiazol-4(5H)-one
CID 137192574
(2E)-2-[(E)-(5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066070
2-{2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl}-4,5-dihydro-1,3-thiazol-4-one
CID 135431189
2-Hydroxybenzaldehyde [5-(4-bromobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135426124
2-Hydroxybenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135403953
(2Z)-2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135509062
2-[(2-Hydroxy-benzylidene)-hydrazono]-thiazolidin-4-one
CID 135419502
(2Z)-5-(4-bromobenzyl)-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135505291
2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136948145
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137192567

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574580) is 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(F)c(Br)cc2O)N1.
What is the InChIKey of 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XNIQVLUGMZQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O2S/c11-6-2-8(16)5(1-7(6)12)3-13-15-10-14-9(17)4-18-10/h1-3,16H,4H2,(H,14,15,17).
What are the key properties of 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 332.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).