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

C22H19FN4O2S — CID 16906239

IUPACN-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)c1
InChIInChI=1S/C22H19FN4O2S/c1-12-8-13(2)10-17(9-12)25-18(28)11-27-22(29)20-21(30-14(3)24-20)19(26-27)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyRCRLRIQLQPBBHT-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.22
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16906239) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16906239
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC NameN-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)c1
InChIInChI=1S/C22H19FN4O2S/c1-12-8-13(2)10-17(9-12)25-18(28)11-27-22(29)20-21(30-14(3)24-20)19(26-27)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyRCRLRIQLQPBBHT-UHFFFAOYSA-N
XLogP4.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16906340
ethyl 4-[[2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetyl]amino]benzoate
CID 16906256
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
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-fluorophenyl)-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16802343
N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906243
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
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-fluorophenyl)acetamide
CID 16906339
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905922
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906021
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 16906046

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 16906239) is N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-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-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is RCRLRIQLQPBBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-12-8-13(2)10-17(9-12)25-18(28)11-27-22(29)20-21(30-14(3)24-20)19(26-27)15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H,25,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 4.22, 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-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16906239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).