2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide

C12H14N4S — CID 114768027

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N4S/c1-7-5-10(12(13)17)6-11(14-7)16-9(3)4-8(2)15-16/h4-6H,1-3H3,(H2,13,17)
InChIKeyOHCCBXMNLHKJDP-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.83
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide

2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide (PubChem CID 114768027) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
PubChem CID114768027
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H14N4S/c1-7-5-10(12(13)17)6-11(14-7)16-9(3)4-8(2)15-16/h4-6H,1-3H3,(H2,13,17)
InChIKeyOHCCBXMNLHKJDP-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.83
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

4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
2-(3,5-dioxopiperazin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767776
2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768034
2-(2,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768007
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
CID 114767295
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbothioamide
CID 114767690
2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587
2-methyl-6-(4-propan-2-ylazepan-1-yl)pyridine-4-carbothioamide
CID 114767724

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide (CID 114768027) is 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The InChIKey is OHCCBXMNLHKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-7-5-10(12(13)17)6-11(14-7)16-9(3)4-8(2)15-16/h4-6H,1-3H3,(H2,13,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide has a molecular weight of 246.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).