2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

C11H12N4O2S — CID 51586148

IUPAC2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(N)=O)n2)s1
InChIInChI=1S/C11H12N4O2S/c1-6-2-3-9(18-6)8-4-7(12)11(17)15(14-8)5-10(13)16/h2-4H,5,12H2,1H3,(H2,13,16)
InChIKeyZNHKWNTYYQVGEM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.35
Rot. Bonds3

About 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51586148) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51586148
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(N)c(=O)n(CC(N)=O)n2)s1
InChIInChI=1S/C11H12N4O2S/c1-6-2-3-9(18-6)8-4-7(12)11(17)15(14-8)5-10(13)16/h2-4H,5,12H2,1H3,(H2,13,16)
InChIKeyZNHKWNTYYQVGEM-UHFFFAOYSA-N
XLogP0.35
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 51586148) is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2cc(N)c(=O)n(CC(N)=O)n2)s1.
What is the InChIKey of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ZNHKWNTYYQVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-2-3-9(18-6)8-4-7(12)11(17)15(14-8)5-10(13)16/h2-4H,5,12H2,1H3,(H2,13,16).
What are the key properties of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51586148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).