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

C10H7BrIN3OS — CID 168574665

IUPAC2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(I)c(Br)c2)N1
InChIInChI=1S/C10H7BrIN3OS/c11-7-3-6(1-2-8(7)12)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyCHYNOJUOWHOTOT-UHFFFAOYSA-N
MW424.06 g/mol
LogP2.61
Rot. Bonds2

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

2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574665) has the molecular formula C10H7BrIN3OS and a molecular weight of 424.06 g/mol. Its IUPAC name is 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574665
Molecular FormulaC10H7BrIN3OS
Molecular Weight424.06 g/mol
Exact Mass422.85
IUPAC Name2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(I)c(Br)c2)N1
InChIInChI=1S/C10H7BrIN3OS/c11-7-3-6(1-2-8(7)12)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)
InChIKeyCHYNOJUOWHOTOT-UHFFFAOYSA-N
XLogP2.61
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.06
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575180
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[(3-bromo-4-pyrazol-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575912
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
CID 135659492
2-[(3-oxoisoindol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576387
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-hydroxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzoic acid
CID 168574666

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574665) is 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(I)c(Br)c2)N1.
What is the InChIKey of 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CHYNOJUOWHOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN3OS/c11-7-3-6(1-2-8(7)12)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-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 424.06 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).