5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide

C15H24N4S — CID 114593343

IUPAC5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
SMILESCc1nnc(N2CC(C)CC(C)C2C)c(C(N)=S)c1C
InChIInChI=1S/C15H24N4S/c1-8-6-9(2)12(5)19(7-8)15-13(14(16)20)10(3)11(4)17-18-15/h8-9,12H,6-7H2,1-5H3,(H2,16,20)
InChIKeyILGXDCCQFXUQPZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.60
Rot. Bonds2

About 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide

5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide (PubChem CID 114593343) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
PubChem CID114593343
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
SMILESCc1nnc(N2CC(C)CC(C)C2C)c(C(N)=S)c1C
InChIInChI=1S/C15H24N4S/c1-8-6-9(2)12(5)19(7-8)15-13(14(16)20)10(3)11(4)17-18-15/h8-9,12H,6-7H2,1-5H3,(H2,16,20)
InChIKeyILGXDCCQFXUQPZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carbothioamide
CID 102781113
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 114536982
3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136820485
5,6-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carbothioamide
CID 79928245
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 82747575
2-fluoro-6-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593344
5,6-dimethyl-3-thiomorpholin-4-ylpyridazine-4-carbothioamide
CID 61097477
3-(4,4-dimethylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbothioamide
CID 55156899
[2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 114597979
2-fluoro-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593328
N-ethyl-2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-amine
CID 114597881

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide (CID 114593343) is 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide is Cc1nnc(N2CC(C)CC(C)C2C)c(C(N)=S)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide?
The InChIKey is ILGXDCCQFXUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-8-6-9(2)12(5)19(7-8)15-13(14(16)20)10(3)11(4)17-18-15/h8-9,12H,6-7H2,1-5H3,(H2,16,20).
What are the key properties of 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide?
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide is sourced from PubChem (CID 114593343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).