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

C10H8BrN3O2S — CID 135431189

IUPAC2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Br)ccc2O)N1
InChIInChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)
InChIKeyBUPWPQSTALKSKT-UHFFFAOYSA-N
MW314.16 g/mol
LogP1.71
Rot. Bonds2

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

2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135431189) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135431189
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Br)ccc2O)N1
InChIInChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16)
InChIKeyBUPWPQSTALKSKT-UHFFFAOYSA-N
XLogP1.71
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 51.71
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-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135431189) is 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(Br)ccc2O)N1.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BUPWPQSTALKSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-4,15H,5H2,(H,13,14,16).
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 314.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135431189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).