4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide

C8H10N2OS — CID 57374330

IUPAC4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-4-3-5(2)10-8(11)6(4)7(9)12/h3H,1-2H3,(H2,9,12)(H,10,11)
InChIKeyVYTKMTKUMBCLQI-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.63
Rot. Bonds1

About 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide

4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide (PubChem CID 57374330) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide
PubChem CID57374330
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-4-3-5(2)10-8(11)6(4)7(9)12/h3H,1-2H3,(H2,9,12)(H,10,11)
InChIKeyVYTKMTKUMBCLQI-UHFFFAOYSA-N
XLogP0.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-2-oxo-1H-pyridine-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-dimethyl-2-oxo-1H-pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide (CID 57374330) is 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide?
The InChIKey is VYTKMTKUMBCLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-4-3-5(2)10-8(11)6(4)7(9)12/h3H,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide?
4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide has a molecular weight of 182.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1H-pyridine-3-carbothioamide is sourced from PubChem (CID 57374330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).