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

C10H7Br2N3OS — CID 168576393

IUPAC2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Br)cc(Br)c2)N1
InChIInChI=1S/C10H7Br2N3OS/c11-7-1-6(2-8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyICOHLDZBOUQVNI-UHFFFAOYSA-N
MW377.06 g/mol
LogP2.76
Rot. Bonds2

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

2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576393) has the molecular formula C10H7Br2N3OS and a molecular weight of 377.06 g/mol. Its IUPAC name is 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576393
Molecular FormulaC10H7Br2N3OS
Molecular Weight377.06 g/mol
Exact Mass374.87
IUPAC Name2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(Br)cc(Br)c2)N1
InChIInChI=1S/C10H7Br2N3OS/c11-7-1-6(2-8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyICOHLDZBOUQVNI-UHFFFAOYSA-N
XLogP2.76
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575180
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576053
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573853
2-[(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575488

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576393) is 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(Br)cc(Br)c2)N1.
What is the InChIKey of 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ICOHLDZBOUQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3OS/c11-7-1-6(2-8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16).
What are the key properties of 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 377.06 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).