6-methylpyridine-2-carbothioamide

C7H8N2S — CID 2784964

IUPAC6-methylpyridine-2-carbothioamide
SMILESCc1cccc(C(N)=S)n1
InChIInChI=1S/C7H8N2S/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyUSBNVICEAWQVGN-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.02
Rot. Bonds1

About 6-methylpyridine-2-carbothioamide

6-methylpyridine-2-carbothioamide (PubChem CID 2784964) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 6-methylpyridine-2-carbothioamide.

Molecular Properties

Compound Name6-methylpyridine-2-carbothioamide
PubChem CID2784964
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name6-methylpyridine-2-carbothioamide
SMILESCc1cccc(C(N)=S)n1
InChIInChI=1S/C7H8N2S/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyUSBNVICEAWQVGN-UHFFFAOYSA-N
XLogP1.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methylpyridine-2-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 6-methylpyridine-2-carbothioamide?
The IUPAC name of 6-methylpyridine-2-carbothioamide (CID 2784964) is 6-methylpyridine-2-carbothioamide.
What is the SMILES notation for 6-methylpyridine-2-carbothioamide?
The canonical SMILES for 6-methylpyridine-2-carbothioamide is Cc1cccc(C(N)=S)n1.
What is the InChIKey of 6-methylpyridine-2-carbothioamide?
The InChIKey is USBNVICEAWQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3,(H2,8,10).
What are the key properties of 6-methylpyridine-2-carbothioamide?
6-methylpyridine-2-carbothioamide has a molecular weight of 152.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-2-carbothioamide is sourced from PubChem (CID 2784964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).