2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide

C7H9N3O2S — CID 105061810

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide
SMILESCOc1ccc(=O)n(CC(N)=S)n1
InChIInChI=1S/C7H9N3O2S/c1-12-6-2-3-7(11)10(9-6)4-5(8)13/h2-3H,4H2,1H3,(H2,8,13)
InChIKeyMIPFBWBPPSDDKM-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.46
Rot. Bonds3

About 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide

2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide (PubChem CID 105061810) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide
PubChem CID105061810
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide
SMILESCOc1ccc(=O)n(CC(N)=S)n1
InChIInChI=1S/C7H9N3O2S/c1-12-6-2-3-7(11)10(9-6)4-5(8)13/h2-3H,4H2,1H3,(H2,8,13)
InChIKeyMIPFBWBPPSDDKM-UHFFFAOYSA-N
XLogP-0.46
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-6-oxopyridazin-1-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

Related Compounds

2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
6-Methoxy-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 105061621
2-(2-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061636
2-[(2R)-2-aminopropyl]-6-methoxypyridazin-3-one
CID 105061667
6-Methoxy-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 105061672
2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one
CID 105061680
3-(3-Methoxy-6-oxopyridazin-1-yl)propanethioamide
CID 105061798
5-(3-Methoxy-6-oxopyridazin-1-yl)pentanethioamide
CID 105061807
3-(3-Methoxy-6-oxopyridazin-1-yl)-2-methylpropanethioamide
CID 105061808
4-(3-Methoxy-6-oxopyridazin-1-yl)butanethioamide
CID 105061816
N-(3-amino-3-sulfanylidenepropyl)-2-(3-methoxy-6-oxopyridazin-1-yl)-N-methylacetamide
CID 105061818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide (CID 105061810) is 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide is COc1ccc(=O)n(CC(N)=S)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide?
The InChIKey is MIPFBWBPPSDDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-12-6-2-3-7(11)10(9-6)4-5(8)13/h2-3H,4H2,1H3,(H2,8,13).
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide?
2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide has a molecular weight of 199.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)ethanethioamide is sourced from PubChem (CID 105061810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).