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

C19H16N2O2S — CID 135418650

IUPAC(5Z)-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-WIXUPIFPSA-N
MW336.42 g/mol
LogP4.14
Rot. Bonds4

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

(5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135418650) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135418650
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(5Z)-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-WIXUPIFPSA-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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Related Compounds

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
5-(2,4-Dimethoxybenzylidene)-2-phenyliminothiazolidin-4-one
CID 135403787
5-[(2,4-Dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135440751
methyl 2-[4-[(Z)-[2-(4-fluoroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]acetate
CID 135468651
3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16188817
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
5-Benzylidene-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135437758
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(5Z)-4-(4-ethoxyanilino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-2-one
CID 135476820
4-(4-ethoxyanilino)-5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 135512315
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135418650) is (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-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 (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is NNOMJHNGSTYWMG-WIXUPIFPSA-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 (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-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 (5Z)-2-(4-methoxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135418650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).