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

C16H11ClN2O2S — CID 135620546

IUPAC(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccccc1O
InChIInChI=1S/C16H11ClN2O2S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(22-16)9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,19,21)/b14-9+
InChIKeyAAWXYVYCCMMZCM-NTEUORMPSA-N
MW330.80 g/mol
LogP3.94
Rot. Bonds2

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

(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135620546) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135620546
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccccc1O
InChIInChI=1S/C16H11ClN2O2S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(22-16)9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,19,21)/b14-9+
InChIKeyAAWXYVYCCMMZCM-NTEUORMPSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135620546) is (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccccc1O.
What is the InChIKey of (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AAWXYVYCCMMZCM-NTEUORMPSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(22-16)9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,19,21)/b14-9+.
What are the key properties of (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 330.80 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135620546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).