2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide

C13H19N3O2S — CID 107073295

IUPAC2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)8-16-9(3)6-7-10(12(14)19)13(16)18/h6-7H,4-5,8H2,1-3H3,(H2,14,19)
InChIKeyDTXAQSCRUPYCIF-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.66
Rot. Bonds5

About 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide

2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide (PubChem CID 107073295) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
PubChem CID107073295
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)8-16-9(3)6-7-10(12(14)19)13(16)18/h6-7H,4-5,8H2,1-3H3,(H2,14,19)
InChIKeyDTXAQSCRUPYCIF-UHFFFAOYSA-N
XLogP0.66
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide 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 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide (CID 107073295) is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C)ccc(C(N)=S)c1=O.
What is the InChIKey of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
The InChIKey is DTXAQSCRUPYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-15(5-2)11(17)8-16-9(3)6-7-10(12(14)19)13(16)18/h6-7H,4-5,8H2,1-3H3,(H2,14,19).
What are the key properties of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide?
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide has a molecular weight of 281.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide is sourced from PubChem (CID 107073295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).