5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one

C21H18N4O2S — CID 10318234

IUPAC5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3
InChIKeyYJQPSUGEFJEJIN-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.95
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one

5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one (PubChem CID 10318234) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one
PubChem CID10318234
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3
InChIKeyYJQPSUGEFJEJIN-UHFFFAOYSA-N
XLogP3.95
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 9885954
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
3-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 10949738
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
CID 11101191
5-(4-Methoxyphenyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11731861
(E)-3-(4-methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one
CID 6063589
2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide
CID 71496744
[4-[[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 39984682
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-methoxybenzyl)acetamide
CID 7207559
2-((6-(2-(2-Methoxyphenyl)-4-methylthiazol-5-yl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 16916831
N-(2-methoxybenzyl)-2-((6-(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16916954
(4-((6-Methylpyridazin-3-yl)oxy)piperidin-1-yl)(2-phenylthiazol-4-yl)methanone
CID 72717289

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one (CID 10318234) is 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one is COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one?
The InChIKey is YJQPSUGEFJEJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one?
5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one has a molecular weight of 390.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridazin-4-ylpyridin-2-one is sourced from PubChem (CID 10318234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).