2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide

C15H17N3O2S — CID 82444153

IUPAC2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
SMILESCCCOc1ccccc1-c1cc(C(N)=S)c(=O)n(C)n1
InChIInChI=1S/C15H17N3O2S/c1-3-8-20-13-7-5-4-6-10(13)12-9-11(14(16)21)15(19)18(2)17-12/h4-7,9H,3,8H2,1-2H3,(H2,16,21)
InChIKeyJKQIQPKLBOWWIP-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide

2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide (PubChem CID 82444153) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
PubChem CID82444153
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
SMILESCCCOc1ccccc1-c1cc(C(N)=S)c(=O)n(C)n1
InChIInChI=1S/C15H17N3O2S/c1-3-8-20-13-7-5-4-6-10(13)12-9-11(14(16)21)15(19)18(2)17-12/h4-7,9H,3,8H2,1-2H3,(H2,16,21)
InChIKeyJKQIQPKLBOWWIP-UHFFFAOYSA-N
XLogP1.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide 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

6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
1,3-dimethyl-5-(2-propoxyphenoxy)pyrazole-4-carbothioamide
CID 63756902
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-[2-(2-oxo-3-propylimidazol-1-yl)ethoxy]benzenecarbothioamide
CID 80579353
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarbothioamide
CID 43290858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide?
The IUPAC name of 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide (CID 82444153) is 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide.
What is the SMILES notation for 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide?
The canonical SMILES for 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide is CCCOc1ccccc1-c1cc(C(N)=S)c(=O)n(C)n1.
What is the InChIKey of 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide?
The InChIKey is JKQIQPKLBOWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-8-20-13-7-5-4-6-10(13)12-9-11(14(16)21)15(19)18(2)17-12/h4-7,9H,3,8H2,1-2H3,(H2,16,21).
What are the key properties of 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide?
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide has a molecular weight of 303.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide is sourced from PubChem (CID 82444153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).