(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C16H10BrClN2O2S — CID 137088984

IUPAC(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C16H10BrClN2O2S/c17-12-8-10(18)6-9(14(12)21)7-13-15(22)20-16(23-13)19-11-4-2-1-3-5-11/h1-8,21H,(H,19,20,22)/b13-7+
InChIKeyYJEPNDCNLMVMNL-NTUHNPAUSA-N
MW409.69 g/mol
LogP4.70
Rot. Bonds2

About (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 137088984) has the molecular formula C16H10BrClN2O2S and a molecular weight of 409.69 g/mol. Its IUPAC name is (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID137088984
Molecular FormulaC16H10BrClN2O2S
Molecular Weight409.69 g/mol
Exact Mass407.93
IUPAC Name(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C16H10BrClN2O2S/c17-12-8-10(18)6-9(14(12)21)7-13-15(22)20-16(23-13)19-11-4-2-1-3-5-11/h1-8,21H,(H,19,20,22)/b13-7+
InChIKeyYJEPNDCNLMVMNL-NTUHNPAUSA-N
XLogP4.70
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.69
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135411700
(5Z)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135748215
(5E)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135765206
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379615
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137019969
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137051209
(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135628758
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069537
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136700717
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135648090
(5Z)-2-(4-chlorophenyl)imino-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137069579
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 137088984) is (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cl)cc(Br)c1O.
What is the InChIKey of (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is YJEPNDCNLMVMNL-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H10BrClN2O2S/c17-12-8-10(18)6-9(14(12)21)7-13-15(22)20-16(23-13)19-11-4-2-1-3-5-11/h1-8,21H,(H,19,20,22)/b13-7+.
What are the key properties of (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 409.69 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137088984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).