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

C16H18N2O2S — CID 690363

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)11-14-15(19)17-16(21-14)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3/b14-11-
InChIKeyGFGAGWQZEHNDMO-KAMYIIQDSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds2

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 690363) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID690363
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)11-14-15(19)17-16(21-14)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3/b14-11-
InChIKeyGFGAGWQZEHNDMO-KAMYIIQDSA-N
XLogP3.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.15
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

5-(3,4-dimethoxybenzylidene)-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
CID 1725351
(5Z)-5-(2,3-dimethoxybenzylidene)-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 2172274
2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
5-(2,5-dimethoxybenzylidene)-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one
CID 702119
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 2235987
5-(4-Allyloxy-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 5761934
(5Z)-5-(2,5-dimethoxybenzylidene)-2-(3-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 20111252
2-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-6-hydroxy-3-(2-methylpropyl)pyrimidin-4-one
CID 135543429
(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 917009
(5Z)-2-piperidin-1-yl-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 1498191
(5E)-5-(2H-chromen-3-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 700553
(5Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 1876676

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 690363) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is GFGAGWQZEHNDMO-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)11-14-15(19)17-16(21-14)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3/b14-11-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 302.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 690363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).