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

C16H10Br2N2O2S — CID 135782014

IUPAC(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H10Br2N2O2S/c17-10-1-4-12(5-2-10)19-16-20-15(22)14(23-16)8-9-7-11(18)3-6-13(9)21/h1-8,21H,(H,19,20,22)/b14-8+
InChIKeyKZBNNKOHOLEGRZ-RIYZIHGNSA-N
MW454.14 g/mol
LogP4.81
Rot. Bonds2

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

(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135782014) has the molecular formula C16H10Br2N2O2S and a molecular weight of 454.14 g/mol. Its IUPAC name is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135782014
Molecular FormulaC16H10Br2N2O2S
Molecular Weight454.14 g/mol
Exact Mass451.88
IUPAC Name(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H10Br2N2O2S/c17-10-1-4-12(5-2-10)19-16-20-15(22)14(23-16)8-9-7-11(18)3-6-13(9)21/h1-8,21H,(H,19,20,22)/b14-8+
InChIKeyKZBNNKOHOLEGRZ-RIYZIHGNSA-N
XLogP4.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.14
LogP ≤ 54.81
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-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137019969
(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
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137063084
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137118669
5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135431166
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135648090
(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-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 137044561
(5Z)-2-(4-bromophenyl)imino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137021418
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139116

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one (CID 135782014) is (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cc(Br)ccc1O.
What is the InChIKey of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KZBNNKOHOLEGRZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H10Br2N2O2S/c17-10-1-4-12(5-2-10)19-16-20-15(22)14(23-16)8-9-7-11(18)3-6-13(9)21/h1-8,21H,(H,19,20,22)/b14-8+.
What are the key properties of (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 454.14 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135782014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).