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

C14H13ClN2O2S — CID 685379

IUPAC(5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c15-11-3-1-2-10(8-11)9-12-13(18)16-14(20-12)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2/b12-9+
InChIKeyPHSRRXOABILSMN-FMIVXFBMSA-N
MW308.79 g/mol
LogP2.64
Rot. Bonds1

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

(5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 685379) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID685379
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c15-11-3-1-2-10(8-11)9-12-13(18)16-14(20-12)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2/b12-9+
InChIKeyPHSRRXOABILSMN-FMIVXFBMSA-N
XLogP2.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.64
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-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 7204218
(5Z)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 1933974
Disubstituted aryl-Me ATX inhibitor 4
CID 72836856
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)-5-[1-(4-chlorophenyl)ethylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 659052
5-(4-Chloro-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 676190
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-1,3-thiazol-4-one
CID 684869
(Z)-5-benzylidene-2-morpholinothiazol-4(5H)-one
CID 704628
5-(2,6-Dichloro-benzylidene)-2-morpholin-4-yl-thiazol-4-one
CID 717351

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 685379) is (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Cl)c1.
What is the InChIKey of (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is PHSRRXOABILSMN-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-11-3-1-2-10(8-11)9-12-13(18)16-14(20-12)17-4-6-19-7-5-17/h1-3,8-9H,4-7H2/b12-9+.
What are the key properties of (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 308.79 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-chlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 685379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).