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

C17H20N2O2S — CID 2240299

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O
InChIInChI=1S/C17H20N2O2S/c1-12-7-9-19(10-8-12)17-18-16(20)15(22-17)11-13-5-3-4-6-14(13)21-2/h3-6,11-12H,7-10H2,1-2H3/b15-11-
InChIKeyRZTGIMMUYNYDOO-PTNGSMBKSA-N
MW316.43 g/mol
LogP3.40
Rot. Bonds2

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

(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (PubChem CID 2240299) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
PubChem CID2240299
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O
InChIInChI=1S/C17H20N2O2S/c1-12-7-9-19(10-8-12)17-18-16(20)15(22-17)11-13-5-3-4-6-14(13)21-2/h3-6,11-12H,7-10H2,1-2H3/b15-11-
InChIKeyRZTGIMMUYNYDOO-PTNGSMBKSA-N
XLogP3.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.40
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
(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
CID 690363
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
(5E)-5-(2H-chromen-3-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 700553
(Z)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-methoxybenzylidene)thiazol-4(5H)-one
CID 1881300
2-Piperidin-1-yl-5-(2-propoxy-benzylidene)-thiazol-4-one
CID 1918569
5-[(2-methyl-2H-chromen-3-yl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 5733878
1-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperidine-4-carboxamide
CID 6532845

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (CID 2240299) is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is COc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The InChIKey is RZTGIMMUYNYDOO-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-7-9-19(10-8-12)17-18-16(20)15(22-17)11-13-5-3-4-6-14(13)21-2/h3-6,11-12H,7-10H2,1-2H3/b15-11-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one has a molecular weight of 316.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 2240299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).