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

C18H14N2O2S — CID 135438881

IUPAC(5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4+,16-8+
InChIKeyXCFJKBZYYCXPMI-LHQXNBGVSA-N
MW322.39 g/mol
LogP3.84
Rot. Bonds3

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

(5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135438881) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135438881
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name(5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4+,16-8+
InChIKeyXCFJKBZYYCXPMI-LHQXNBGVSA-N
XLogP3.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.84
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-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135438881) is (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C/C=C/c1ccccc1.
What is the InChIKey of (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is XCFJKBZYYCXPMI-LHQXNBGVSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)/b7-4+,16-8+.
What are the key properties of (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 322.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135438881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).