2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H9Br2N3O2S — CID 168573853

IUPAC2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c(Br)cc(C=NN=C2NC(=O)CS2)c(O)c1Br
InChIInChI=1S/C11H9Br2N3O2S/c1-5-7(12)2-6(10(18)9(5)13)3-14-16-11-15-8(17)4-19-11/h2-3,18H,4H2,1H3,(H,15,16,17)
InChIKeyAIQCSGADXLQKCY-UHFFFAOYSA-N
MW407.09 g/mol
LogP2.78
Rot. Bonds2

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

2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168573853) has the molecular formula C11H9Br2N3O2S and a molecular weight of 407.09 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168573853
Molecular FormulaC11H9Br2N3O2S
Molecular Weight407.09 g/mol
Exact Mass404.88
IUPAC Name2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c(Br)cc(C=NN=C2NC(=O)CS2)c(O)c1Br
InChIInChI=1S/C11H9Br2N3O2S/c1-5-7(12)2-6(10(18)9(5)13)3-14-16-11-15-8(17)4-19-11/h2-3,18H,4H2,1H3,(H,15,16,17)
InChIKeyAIQCSGADXLQKCY-UHFFFAOYSA-N
XLogP2.78
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 52.78
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

(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576442
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[[2-bromo-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575869
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
2-[(2-hydroxy-3-nitro-5-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573860
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576342

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168573853) is 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1c(Br)cc(C=NN=C2NC(=O)CS2)c(O)c1Br.
What is the InChIKey of 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AIQCSGADXLQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2S/c1-5-7(12)2-6(10(18)9(5)13)3-14-16-11-15-8(17)4-19-11/h2-3,18H,4H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 407.09 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168573853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).