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

C19H16N2O2S — CID 135460598

IUPAC(5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3)S2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-12-10-15(11-13-16)20-19-21-18(22)17(24-19)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,22)/b8-5+,17-9+
InChIKeyNNOMJHNGSTYWMG-BDKUJZOCSA-N
MW336.42 g/mol
LogP4.14
Rot. Bonds4

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

(5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135460598) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135460598
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3)S2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-12-10-15(11-13-16)20-19-21-18(22)17(24-19)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,22)/b8-5+,17-9+
InChIKeyNNOMJHNGSTYWMG-BDKUJZOCSA-N
XLogP4.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
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-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135460598) is (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3)S2)cc1.
What is the InChIKey of (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is NNOMJHNGSTYWMG-BDKUJZOCSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-16-12-10-15(11-13-16)20-19-21-18(22)17(24-19)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,21,22)/b8-5+,17-9+.
What are the key properties of (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135460598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).