2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide

C23H22N4O3S — CID 16906446

IUPAC2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C23H22N4O3S/c1-13-5-10-18(14(2)11-13)20-22-21(24-15(3)31-22)23(29)27(26-20)12-19(28)25-16-6-8-17(30-4)9-7-16/h5-11H,12H2,1-4H3,(H,25,28)
InChIKeyPMMFFUSFKJGOCW-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.09
Rot. Bonds5

About 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide

2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 16906446) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID16906446
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C23H22N4O3S/c1-13-5-10-18(14(2)11-13)20-22-21(24-15(3)31-22)23(29)27(26-20)12-19(28)25-16-6-8-17(30-4)9-7-16/h5-11H,12H2,1-4H3,(H,25,28)
InChIKeyPMMFFUSFKJGOCW-UHFFFAOYSA-N
XLogP4.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906441
N-(4-acetylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906161
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-methylphenyl)acetamide
CID 16906134
N-(4-ethoxyphenyl)-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16905952
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-phenylacetamide
CID 16906534
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16802343
N-(4-acetylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906361
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16906340
2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
CID 16906500
N-(3-chloro-4-methylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906416
4-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]benzamide
CID 16905883
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide (CID 16906446) is 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)cc1.
What is the InChIKey of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PMMFFUSFKJGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-13-5-10-18(14(2)11-13)20-22-21(24-15(3)31-22)23(29)27(26-20)12-19(28)25-16-6-8-17(30-4)9-7-16/h5-11H,12H2,1-4H3,(H,25,28).
What are the key properties of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide?
2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16906446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).