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

C10H7Br2N3O2S — CID 135648558

IUPAC(2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=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 (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135648558) has the molecular formula C10H7Br2N3O2S and a molecular weight of 393.06 g/mol. Its IUPAC name is (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135648558
Molecular FormulaC10H7Br2N3O2S
Molecular Weight393.06 g/mol
Exact Mass390.86
IUPAC Name(2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135648558) is (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2cc(Br)cc(Br)c2O)N1.
What is the InChIKey of (2E)-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 (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-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 (2E)-2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135648558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).