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

C22H19FN4O3S — CID 16906243

IUPACN-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(C)nc2c1=O
InChIInChI=1S/C22H19FN4O3S/c1-3-30-17-7-5-4-6-16(17)25-18(28)12-27-22(29)20-21(31-13(2)24-20)19(26-27)14-8-10-15(23)11-9-14/h4-11H,3,12H2,1-2H3,(H,25,28)
InChIKeyMCFGDSLUEXVVED-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.00
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16906243) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16906243
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(C)nc2c1=O
InChIInChI=1S/C22H19FN4O3S/c1-3-30-17-7-5-4-6-16(17)25-18(28)12-27-22(29)20-21(31-13(2)24-20)19(26-27)14-8-10-15(23)11-9-14/h4-11H,3,12H2,1-2H3,(H,25,28)
InChIKeyMCFGDSLUEXVVED-UHFFFAOYSA-N
XLogP4.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-ethoxyphenyl)acetamide
CID 16906345
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-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906239
ethyl 2-[[2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetyl]amino]benzoate
CID 16906060
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-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16906340
N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetamide
CID 53056458
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16802343
ethyl 2-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]acetate
CID 16905875
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-fluorophenyl)acetamide
CID 16906339
5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 16906273
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 16906050

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 16906243) is N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(C)nc2c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is MCFGDSLUEXVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-3-30-17-7-5-4-6-16(17)25-18(28)12-27-22(29)20-21(31-13(2)24-20)19(26-27)14-8-10-15(23)11-9-14/h4-11H,3,12H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[7-(4-fluorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16906243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).