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

C15H15FN2OS — CID 842906

IUPAC(5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1F
InChIInChI=1S/C15H15FN2OS/c16-12-7-3-2-6-11(12)10-13-14(19)17-15(20-13)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-
InChIKeyLGEVTTYGASHPFJ-RAXLEYEMSA-N
MW290.36 g/mol
LogP3.28
Rot. Bonds1

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

(5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 842906) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID842906
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1F
InChIInChI=1S/C15H15FN2OS/c16-12-7-3-2-6-11(12)10-13-14(19)17-15(20-13)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-
InChIKeyLGEVTTYGASHPFJ-RAXLEYEMSA-N
XLogP3.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.28
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'}

Analyze (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-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
5-benzylidene-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 692025
Monosubstituted aryl-Me ATX inhibitor 10
CID 72836854
Monosubstituted aryl-Me ATX inhibitor 9
CID 91899662
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 694255
(5Z)-5-(2-fluorobenzylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 24761375
Disubstituted aryl-Me ATX inhibitor 1
CID 72836855
Monosubstituted aryl-Me ATX inhibitor 7
CID 72836853
2-(4-benzyl-1-piperazinyl)-5-(1-methylethylidene)-1,3-thiazol-4(5H)-one
CID 885464
2-morpholino-5-[(Z,2Z)-3-phenyl-2-propenylidene]-1,3-thiazol-4-one
CID 1926999
2-[(E)-(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 6367618
(5E)-5-benzylidene-2-(dimethylamino)-1,3-thiazol-4(5H)-one
CID 6368637

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 842906) is (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1F.
What is the InChIKey of (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is LGEVTTYGASHPFJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-12-7-3-2-6-11(12)10-13-14(19)17-15(20-13)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2/b13-10-.
What are the key properties of (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 290.36 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-fluorophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 842906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).