2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H11BrN4OS — CID 168576053

IUPAC2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(-c3ccc(Br)cn3)cc2)N1
InChIInChI=1S/C15H11BrN4OS/c16-12-5-6-13(17-8-12)11-3-1-10(2-4-11)7-18-20-15-19-14(21)9-22-15/h1-8H,9H2,(H,19,20,21)
InChIKeySLFVBKWPKVJXIH-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.06
Rot. Bonds3

About 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576053) has the molecular formula C15H11BrN4OS and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576053
Molecular FormulaC15H11BrN4OS
Molecular Weight375.25 g/mol
Exact Mass373.98
IUPAC Name2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(-c3ccc(Br)cn3)cc2)N1
InChIInChI=1S/C15H11BrN4OS/c16-12-5-6-13(17-8-12)11-3-1-10(2-4-11)7-18-20-15-19-14(21)9-22-15/h1-8H,9H2,(H,19,20,21)
InChIKeySLFVBKWPKVJXIH-UHFFFAOYSA-N
XLogP3.06
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(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-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575217
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
[4-[[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 135779848
[4-[(E)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 135484396
[4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 135531870
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576053) is 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(-c3ccc(Br)cn3)cc2)N1.
What is the InChIKey of 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SLFVBKWPKVJXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4OS/c16-12-5-6-13(17-8-12)11-3-1-10(2-4-11)7-18-20-15-19-14(21)9-22-15/h1-8H,9H2,(H,19,20,21).
What are the key properties of 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 375.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).