(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C16H10BrFN2OS — CID 135761059

IUPAC(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc(F)c1
InChIInChI=1S/C16H10BrFN2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)/b14-9+
InChIKeyJZHFDHNKGIQKCX-NTEUORMPSA-N
MW377.24 g/mol
LogP4.48
Rot. Bonds2

About (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135761059) has the molecular formula C16H10BrFN2OS and a molecular weight of 377.24 g/mol. Its IUPAC name is (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135761059
Molecular FormulaC16H10BrFN2OS
Molecular Weight377.24 g/mol
Exact Mass375.97
IUPAC Name(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc(F)c1
InChIInChI=1S/C16H10BrFN2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)/b14-9+
InChIKeyJZHFDHNKGIQKCX-NTEUORMPSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135868134
2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135402381
5-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135523188
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
(5E)-2-(4-bromophenyl)imino-5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 137136603
(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034519
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135504595
2-(4-bromophenyl)imino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135525046
(5Z)-2-(4-bromophenyl)imino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137021418
5-[(4-bromophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500656
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
[3-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-fluorobenzoate
CID 137069601

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135761059) is (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc(F)c1.
What is the InChIKey of (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is JZHFDHNKGIQKCX-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10BrFN2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)/b14-9+.
What are the key properties of (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 377.24 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135761059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).