ethane;6-methylpyridine-3-carbothioamide

C9H14N2S — CID 143699561

IUPACethane;6-methylpyridine-3-carbothioamide
SMILESCC.Cc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2S.C2H6/c1-5-2-3-6(4-9-5)7(8)10;1-2/h2-4H,1H3,(H2,8,10);1-2H3
InChIKeyQGFJIKRQLFFOGE-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.05
Rot. Bonds1

About ethane;6-methylpyridine-3-carbothioamide

ethane;6-methylpyridine-3-carbothioamide (PubChem CID 143699561) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is ethane;6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Nameethane;6-methylpyridine-3-carbothioamide
PubChem CID143699561
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Nameethane;6-methylpyridine-3-carbothioamide
SMILESCC.Cc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2S.C2H6/c1-5-2-3-6(4-9-5)7(8)10;1-2/h2-4H,1H3,(H2,8,10);1-2H3
InChIKeyQGFJIKRQLFFOGE-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;6-methylpyridine-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 ethane;6-methylpyridine-3-carbothioamide?
The IUPAC name of ethane;6-methylpyridine-3-carbothioamide (CID 143699561) is ethane;6-methylpyridine-3-carbothioamide.
What is the SMILES notation for ethane;6-methylpyridine-3-carbothioamide?
The canonical SMILES for ethane;6-methylpyridine-3-carbothioamide is CC.Cc1ccc(C(N)=S)cn1.
What is the InChIKey of ethane;6-methylpyridine-3-carbothioamide?
The InChIKey is QGFJIKRQLFFOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.C2H6/c1-5-2-3-6(4-9-5)7(8)10;1-2/h2-4H,1H3,(H2,8,10);1-2H3.
What are the key properties of ethane;6-methylpyridine-3-carbothioamide?
ethane;6-methylpyridine-3-carbothioamide has a molecular weight of 182.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 143699561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).