(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C17H18N2O2S — CID 682575

IUPAC(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCC(=C/c1ccccc1)/C=C1/SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C17H18N2O2S/c1-13(11-14-5-3-2-4-6-14)12-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h2-6,11-12H,7-10H2,1H3/b13-11-,15-12+
InChIKeyOXILYMAORVXQHT-OWTZWGKBSA-N
MW314.41 g/mol
LogP2.94
Rot. Bonds2

About (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 682575) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID682575
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESCC(=C/c1ccccc1)/C=C1/SC(N2CCOCC2)=NC1=O
InChIInChI=1S/C17H18N2O2S/c1-13(11-14-5-3-2-4-6-14)12-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h2-6,11-12H,7-10H2,1H3/b13-11-,15-12+
InChIKeyOXILYMAORVXQHT-OWTZWGKBSA-N
XLogP2.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Methyl-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 691921
Monosubstituted aryl-Me ATX inhibitor 10
CID 72836854
(5Z)-5-(2-fluorobenzylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 24761375
(E)-2-morpholino-5-(naphthalen-1-ylmethylene)thiazol-4(5H)-one
CID 703262
(5Z)-2-(morpholin-4-yl)-5-[4-(propan-2-yl)benzylidene]-1,3-thiazol-4(5H)-one
CID 687188
Disubstituted aryl-Me ATX inhibitor 1
CID 72836855
Monosubstituted aryl-Me ATX inhibitor 7
CID 72836853
(E)-2-morpholino-5-(1-(p-tolyl)ethylidene)thiazol-4(5H)-one
CID 660193
2-morpholino-5-[(Z,2Z)-3-phenyl-2-propenylidene]-1,3-thiazol-4-one
CID 1926999
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one
CID 2936629
(5E)-5-[(4-ethylphenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 1927661
(5Z)-5-(4-ethylbenzylidene)-2-morpholin-4-yl-1,3-thiazol-4(5H)-one
CID 1927662

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 682575) is (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is CC(=C/c1ccccc1)/C=C1/SC(N2CCOCC2)=NC1=O.
What is the InChIKey of (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is OXILYMAORVXQHT-OWTZWGKBSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13(11-14-5-3-2-4-6-14)12-15-16(20)18-17(22-15)19-7-9-21-10-8-19/h2-6,11-12H,7-10H2,1H3/b13-11-,15-12+.
What are the key properties of (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 314.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 682575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).