(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C15H15ClN2O2S — CID 659052

IUPAC(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-
InChIKeyQOOPSMQEDCXXCO-RAXLEYEMSA-N
MW322.82 g/mol
LogP3.03
Rot. Bonds1

About (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 659052) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID659052
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-
InChIKeyQOOPSMQEDCXXCO-RAXLEYEMSA-N
XLogP3.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.03
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'}

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Related Compounds

(5Z)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 1933974
(E)-2-morpholino-5-(1-(p-tolyl)ethylidene)thiazol-4(5H)-one
CID 660193
5-(2-methyl-3-phenyl-2-propen-1-ylidene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 682575
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
5-(4-Chloro-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 676190
Disubstituted aryl-Me ATX inhibitor 2
CID 2261002
Monosubstituted aryl-Me ATX inhibitor 4
CID 72836852
2-(4-morpholinyl)-5-(1-phenylethylidene)-1,3-thiazol-4(5H)-one
CID 885277
(5E)-5-[(4-Fluorophenyl)methylidene]-2-(morpholin-4-YL)-4,5-dihydro-1,3-thiazol-4-one
CID 684869

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 659052) is (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is QOOPSMQEDCXXCO-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10(11-2-4-12(16)5-3-11)13-14(19)17-15(21-13)18-6-8-20-9-7-18/h2-5H,6-9H2,1H3/b13-10-.
What are the key properties of (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 322.82 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 659052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).