5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H12BrN3O2S — CID 135465250

IUPAC5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c16-11-5-3-10(4-6-11)8-13-14(20)18-15(22-13)19-17-9-12-2-1-7-21-12/h1-7,9,13H,8H2,(H,18,19,20)
InChIKeyUZCLGULHWTXSEK-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.21
Rot. Bonds4

About 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135465250) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135465250
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c16-11-5-3-10(4-6-11)8-13-14(20)18-15(22-13)19-17-9-12-2-1-7-21-12/h1-7,9,13H,8H2,(H,18,19,20)
InChIKeyUZCLGULHWTXSEK-UHFFFAOYSA-N
XLogP3.21
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.21
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-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
(2Z,5R)-5-[(4-butylphenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728769
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063
N-(4-bromophenyl)-2-[(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135897948
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 137186438
(2Z,5R)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135934506
(2E,5S)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666862
(5R)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231531
(5S)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231530
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135465250) is 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccco2)SC1Cc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is UZCLGULHWTXSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-11-5-3-10(4-6-11)8-13-14(20)18-15(22-13)19-17-9-12-2-1-7-21-12/h1-7,9,13H,8H2,(H,18,19,20).
What are the key properties of 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 378.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135465250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).