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

C24H24N4O2S — CID 16906441

IUPACN-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)c1
InChIInChI=1S/C24H24N4O2S/c1-13-6-7-19(16(4)9-13)21-23-22(25-17(5)31-23)24(30)28(27-21)12-20(29)26-18-10-14(2)8-15(3)11-18/h6-11H,12H2,1-5H3,(H,26,29)
InChIKeyTVIUXVNOCKUEBH-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.70
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16906441) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16906441
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)c1
InChIInChI=1S/C24H24N4O2S/c1-13-6-7-19(16(4)9-13)21-23-22(25-17(5)31-23)24(30)28(27-21)12-20(29)26-18-10-14(2)8-15(3)11-18/h6-11H,12H2,1-5H3,(H,26,29)
InChIKeyTVIUXVNOCKUEBH-UHFFFAOYSA-N
XLogP4.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 16906446
N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906239
2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
CID 16906500
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
N-(3-chloro-4-methylphenyl)-2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906115
4-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]benzamide
CID 16905883
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905922
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16906716
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-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-phenylacetamide
CID 16906534
N-(4-acetylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906361

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of 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) is N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is TVIUXVNOCKUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-13-6-7-19(16(4)9-13)21-23-22(25-17(5)31-23)24(30)28(27-21)12-20(29)26-18-10-14(2)8-15(3)11-18/h6-11H,12H2,1-5H3,(H,26,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16906441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).