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

C10H8BrN3O2S — CID 135488525

IUPAC(2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cc(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)/b12-4+
InChIKeyBUPWPQSTALKSKT-UUILKARUSA-N
MW314.16 g/mol
LogP1.71
Rot. Bonds2

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

(2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135488525) has the molecular formula C10H8BrN3O2S and a molecular weight of 314.16 g/mol. Its IUPAC name is (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135488525
Molecular FormulaC10H8BrN3O2S
Molecular Weight314.16 g/mol
Exact Mass312.95
IUPAC Name(2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cc(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)/b12-4+
InChIKeyBUPWPQSTALKSKT-UUILKARUSA-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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Related Compounds

(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
(E)-2-((E)-(4-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135886854
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
(E)-2((E)-(4-Hydroxybenzylidin)hydrazono)thiazolidine-4-one (6)
CID 137014974
2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-one
CID 135504330
3-[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]-2-[(4-fluorophenyl)methyl]isothiourea
CID 136224436
2-[(2-Hydroxy-benzylidene)-hydrazono]-thiazolidin-4-one
CID 135419502

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135488525) is (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2cc(Br)ccc2O)N1.
What is the InChIKey of (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BUPWPQSTALKSKT-UUILKARUSA-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)/b12-4+.
What are the key properties of (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(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 (2E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135488525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).