4,6-dimethylpyridine-3-carbothioamide

C8H10N2S — CID 3000561

IUPAC4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)cn1
InChIInChI=1S/C8H10N2S/c1-5-3-6(2)10-4-7(5)8(9)11/h3-4H,1-2H3,(H2,9,11)
InChIKeyYRESOMFQUAWELG-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.33
Rot. Bonds1

About 4,6-dimethylpyridine-3-carbothioamide

4,6-dimethylpyridine-3-carbothioamide (PubChem CID 3000561) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethylpyridine-3-carbothioamide
PubChem CID3000561
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)cn1
InChIInChI=1S/C8H10N2S/c1-5-3-6(2)10-4-7(5)8(9)11/h3-4H,1-2H3,(H2,9,11)
InChIKeyYRESOMFQUAWELG-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-dimethylpyridine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethylpyridine-3-carbothioamide (CID 3000561) is 4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethylpyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)cn1.
What is the InChIKey of 4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is YRESOMFQUAWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5-3-6(2)10-4-7(5)8(9)11/h3-4H,1-2H3,(H2,9,11).
What are the key properties of 4,6-dimethylpyridine-3-carbothioamide?
4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 166.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 3000561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).