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

C15H15ClN2OS — CID 676190

IUPAC(5Z)-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-RAXLEYEMSA-N
MW306.82 g/mol
LogP3.80
Rot. Bonds1

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 676190) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID676190
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(5Z)-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-RAXLEYEMSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 676190) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-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 (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is JREKHXBULNREND-RAXLEYEMSA-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 (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-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 (5Z)-5-[(4-chlorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 676190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).