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

C23H22N4O2S — CID 16906500

IUPAC2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCc1ccc(-c2nn(CC(=O)N(C)c3ccccc3)c(=O)c3nc(C)sc23)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)20-22-21(24-16(3)30-22)23(29)27(25-20)13-19(28)26(4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3
InChIKeyJQRWNOYUYFMMLE-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.11
Rot. Bonds4

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

2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide (PubChem CID 16906500) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 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-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
PubChem CID16906500
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide
SMILESCc1ccc(-c2nn(CC(=O)N(C)c3ccccc3)c(=O)c3nc(C)sc23)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)20-22-21(24-16(3)30-22)23(29)27(25-20)13-19(28)26(4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3
InChIKeyJQRWNOYUYFMMLE-UHFFFAOYSA-N
XLogP4.11
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-N-phenylacetamide?
The IUPAC name of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide (CID 16906500) is 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide.
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-methyl-N-phenylacetamide?
The canonical SMILES for 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide is Cc1ccc(-c2nn(CC(=O)N(C)c3ccccc3)c(=O)c3nc(C)sc23)c(C)c1.
What is the InChIKey of 2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide?
The InChIKey is JQRWNOYUYFMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-10-11-18(15(2)12-14)20-22-21(24-16(3)30-22)23(29)27(25-20)13-19(28)26(4)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3.
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-methyl-N-phenylacetamide?
2-[7-(2,4-dimethylphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-methyl-N-phenylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-N-phenylacetamide is sourced from PubChem (CID 16906500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).