2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide

C19H22N4O4S — CID 16906397

IUPAC2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2nn(CC(=O)NC(C)C)c(=O)c3nc(C)sc23)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-10(2)20-15(24)9-23-19(25)17-18(28-11(3)21-17)16(22-23)12-6-7-13(26-4)14(8-12)27-5/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyGOPBIRYKWYWHCL-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.37
Rot. Bonds6

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

2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide (PubChem CID 16906397) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide
PubChem CID16906397
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2nn(CC(=O)NC(C)C)c(=O)c3nc(C)sc23)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-10(2)20-15(24)9-23-19(25)17-18(28-11(3)21-17)16(22-23)12-6-7-13(26-4)14(8-12)27-5/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyGOPBIRYKWYWHCL-UHFFFAOYSA-N
XLogP2.37
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
N-benzyl-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906367
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-(4-acetylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906361
N-(3-chloro-4-methylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906416
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 16906345
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906172
5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-7-(3,4-dimethoxyphenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71692732
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 16906050
7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884943
2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-phenylacetamide
CID 16906534
2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(3-methylphenyl)acetamide
CID 16906134

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide (CID 16906397) is 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide is COc1ccc(-c2nn(CC(=O)NC(C)C)c(=O)c3nc(C)sc23)cc1OC.
What is the InChIKey of 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide?
The InChIKey is GOPBIRYKWYWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-10(2)20-15(24)9-23-19(25)17-18(28-11(3)21-17)16(22-23)12-6-7-13(26-4)14(8-12)27-5/h6-8,10H,9H2,1-5H3,(H,20,24).
What are the key properties of 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide?
2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide has a molecular weight of 402.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16906397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).