(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

C16H10BrFN2O2S — CID 137118669

IUPAC(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2F)S/C1=C\c1cc(Br)ccc1O
InChIInChI=1S/C16H10BrFN2O2S/c17-10-5-6-13(21)9(7-10)8-14-15(22)20-16(23-14)19-12-4-2-1-3-11(12)18/h1-8,21H,(H,19,20,22)/b14-8-
InChIKeyYESHMYRKQSIHOU-ZSOIEALJSA-N
MW393.24 g/mol
LogP4.19
Rot. Bonds2

About (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137118669) has the molecular formula C16H10BrFN2O2S and a molecular weight of 393.24 g/mol. Its IUPAC name is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137118669
Molecular FormulaC16H10BrFN2O2S
Molecular Weight393.24 g/mol
Exact Mass391.96
IUPAC Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2F)S/C1=C\c1cc(Br)ccc1O
InChIInChI=1S/C16H10BrFN2O2S/c17-10-5-6-13(21)9(7-10)8-14-15(22)20-16(23-14)19-12-4-2-1-3-11(12)18/h1-8,21H,(H,19,20,22)/b14-8-
InChIKeyYESHMYRKQSIHOU-ZSOIEALJSA-N
XLogP4.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137019969
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135602974
2-(2-fluorophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486645
(5Z)-2-(2-fluorophenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137140282
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-bromo-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137063472
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137063084
(5Z)-5-[[4-(dihydroxymethyl)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 155313542
(5E)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135765206
(5Z)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135748215
(5E)-2-(2-fluorophenyl)imino-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 135781836
2-(2-chlorophenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486647

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 137118669) is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2F)S/C1=C\c1cc(Br)ccc1O.
What is the InChIKey of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is YESHMYRKQSIHOU-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10BrFN2O2S/c17-10-5-6-13(21)9(7-10)8-14-15(22)20-16(23-14)19-12-4-2-1-3-11(12)18/h1-8,21H,(H,19,20,22)/b14-8-.
What are the key properties of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 393.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137118669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).