2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C13H13N3O2S — CID 3227985

IUPAC2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(N)=O)nn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-4-2-9(3-5-10)11-6-7-13(16-15-11)19-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyWCLCIRSUCPBOCV-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.73
Rot. Bonds5

About 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 3227985) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID3227985
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(N)=O)nn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-10-4-2-9(3-5-10)11-6-7-13(16-15-11)19-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyWCLCIRSUCPBOCV-UHFFFAOYSA-N
XLogP1.73
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
1-(4-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699377
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43817501
N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 172991960
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3228047
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
2-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]sulfanylacetic acid
CID 82192317
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8541401
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
CID 16916734

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 3227985) is 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(N)=O)nn2)cc1.
What is the InChIKey of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WCLCIRSUCPBOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-10-4-2-9(3-5-10)11-6-7-13(16-15-11)19-8-12(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3227985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).