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

C18H13ClN2OS — CID 135514366

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12+
InChIKeyNKIWWRJRKUNSDM-LVEAOLTQSA-N
MW340.84 g/mol
LogP4.79
Rot. Bonds3

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

(5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135514366) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135514366
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12+
InChIKeyNKIWWRJRKUNSDM-LVEAOLTQSA-N
XLogP4.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135514366) is (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is NKIWWRJRKUNSDM-LVEAOLTQSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12+.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.84 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135514366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).