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

C10H7Br2N3O2S — CID 137192567

IUPAC2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2cc(Br)cc(Br)c2O)N1
InChIInChI=1S/C10H7Br2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+
InChIKeyXNOWWTBMMKXRCZ-QLKAYGNNSA-N
MW393.06 g/mol
LogP2.47
Rot. Bonds2

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

2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137192567) has the molecular formula C10H7Br2N3O2S and a molecular weight of 393.06 g/mol. Its IUPAC name is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137192567
Molecular FormulaC10H7Br2N3O2S
Molecular Weight393.06 g/mol
Exact Mass390.86
IUPAC Name2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2cc(Br)cc(Br)c2O)N1
InChIInChI=1S/C10H7Br2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+
InChIKeyXNOWWTBMMKXRCZ-QLKAYGNNSA-N
XLogP2.47
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 52.47
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
2-{2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl}-4,5-dihydro-1,3-thiazol-4-one
CID 135431189
methyl N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 135846000
(2Z)-2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135509062
3-[(E)-(3,5-dibromo-2-hydroxy-phenyl)methyleneamino]-2-thioxo-thiazolidin-4-one
CID 135478833
2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136948145
methyl N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 135683120
2-[[3-Bromo-2-hydroxy-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574548
2-[(2-Bromo-4-fluoro-6-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574573
2-[[3-Bromo-2-hydroxy-6-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574578

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137192567) is 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=N/N=C/c2cc(Br)cc(Br)c2O)N1.
What is the InChIKey of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XNOWWTBMMKXRCZ-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H7Br2N3O2S/c11-6-1-5(9(17)7(12)2-6)3-13-15-10-14-8(16)4-18-10/h1-3,17H,4H2,(H,14,15,16)/b13-3+.
What are the key properties of 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 393.06 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).