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

C22H19ClN4O2S — CID 16906046

IUPAC2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-3-14-4-10-17(11-5-14)25-18(28)12-27-22(29)20-21(30-13(2)24-20)19(26-27)15-6-8-16(23)9-7-15/h4-11H,3,12H2,1-2H3,(H,25,28)
InChIKeyKDJZUYLCHFAEGB-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.68
Rot. Bonds5

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

2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 16906046) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
PubChem CID16906046
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-3-14-4-10-17(11-5-14)25-18(28)12-27-22(29)20-21(30-13(2)24-20)19(26-27)15-6-8-16(23)9-7-15/h4-11H,3,12H2,1-2H3,(H,25,28)
InChIKeyKDJZUYLCHFAEGB-UHFFFAOYSA-N
XLogP4.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide (CID 16906046) is 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)c3sc(C)nc3c2=O)cc1.
What is the InChIKey of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is KDJZUYLCHFAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-3-14-4-10-17(11-5-14)25-18(28)12-27-22(29)20-21(30-13(2)24-20)19(26-27)15-6-8-16(23)9-7-15/h4-11H,3,12H2,1-2H3,(H,25,28).
What are the key properties of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide?
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 16906046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).