2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide

C15H17N3OS — CID 82444777

IUPAC2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
SMILESCCc1ccc(-c2cc(C(N)=S)c(=O)n(CC)n2)cc1
InChIInChI=1S/C15H17N3OS/c1-3-10-5-7-11(8-6-10)13-9-12(14(16)20)15(19)18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H2,16,20)
InChIKeyZPYWXSNRXAJNDT-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.13
Rot. Bonds4

About 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide

2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide (PubChem CID 82444777) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide.

Molecular Properties

Compound Name2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
PubChem CID82444777
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
SMILESCCc1ccc(-c2cc(C(N)=S)c(=O)n(CC)n2)cc1
InChIInChI=1S/C15H17N3OS/c1-3-10-5-7-11(8-6-10)13-9-12(14(16)20)15(19)18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H2,16,20)
InChIKeyZPYWXSNRXAJNDT-UHFFFAOYSA-N
XLogP2.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-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

2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70545373
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
1-ethyl-3-(4-ethylphenyl)-6-methylpyrimido[4,5-c]pyridazine-5,7-dione
CID 71818147
2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467609
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide?
The IUPAC name of 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide (CID 82444777) is 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide.
What is the SMILES notation for 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide?
The canonical SMILES for 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide is CCc1ccc(-c2cc(C(N)=S)c(=O)n(CC)n2)cc1.
What is the InChIKey of 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide?
The InChIKey is ZPYWXSNRXAJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-10-5-7-11(8-6-10)13-9-12(14(16)20)15(19)18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H2,16,20).
What are the key properties of 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide?
2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide is sourced from PubChem (CID 82444777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).