2-(6-methoxypyridazin-3-yl)ethanethioamide

C7H9N3OS — CID 130505695

IUPAC2-(6-methoxypyridazin-3-yl)ethanethioamide
SMILESCOc1ccc(CC(N)=S)nn1
InChIInChI=1S/C7H9N3OS/c1-11-7-3-2-5(9-10-7)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12)
InChIKeyLKHCPNOJOSBASG-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.31
Rot. Bonds3

About 2-(6-methoxypyridazin-3-yl)ethanethioamide

2-(6-methoxypyridazin-3-yl)ethanethioamide (PubChem CID 130505695) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)ethanethioamide
PubChem CID130505695
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(6-methoxypyridazin-3-yl)ethanethioamide
SMILESCOc1ccc(CC(N)=S)nn1
InChIInChI=1S/C7H9N3OS/c1-11-7-3-2-5(9-10-7)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12)
InChIKeyLKHCPNOJOSBASG-UHFFFAOYSA-N
XLogP0.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(6-methoxypyridazin-3-yl)ethanethioamide 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-(6-methoxypyridazin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)ethanethioamide (CID 130505695) is 2-(6-methoxypyridazin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)ethanethioamide is COc1ccc(CC(N)=S)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)ethanethioamide?
The InChIKey is LKHCPNOJOSBASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-11-7-3-2-5(9-10-7)4-6(8)12/h2-3H,4H2,1H3,(H2,8,12).
What are the key properties of 2-(6-methoxypyridazin-3-yl)ethanethioamide?
2-(6-methoxypyridazin-3-yl)ethanethioamide has a molecular weight of 183.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)ethanethioamide is sourced from PubChem (CID 130505695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).