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

C15H15ClN2OS — CID 676189

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-12-6-4-11(5-7-12)10-13-14(19)17-15(20-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2/b13-10+
InChIKeyJREKHXBULNREND-JLHYYAGUSA-N
MW306.82 g/mol
LogP3.80
Rot. Bonds1

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

(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 676189) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID676189
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-12-6-4-11(5-7-12)10-13-14(19)17-15(20-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2/b13-10+
InChIKeyJREKHXBULNREND-JLHYYAGUSA-N
XLogP3.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
5-(4-Methyl-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 691921
(5Z)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
CID 1933974
(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 2410243
5-(2-Fluoro-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 842906
Disubstituted aryl-Me ATX inhibitor 4
CID 72836856
(2Z)-2-[(4-chlorophenyl)methylidene]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 6289697
3-Allyl-2-[(Z)-allylimino]-5-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-thiazolidin-4-one
CID 1880481
(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
(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 960165
Disubstituted aryl-Me ATX inhibitor 2
CID 2261002

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 676189) is (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is JREKHXBULNREND-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-6-4-11(5-7-12)10-13-14(19)17-15(20-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2/b13-10+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 306.82 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).