2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide

C12H17N3O2S — CID 107073308

IUPAC2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C12H17N3O2S/c1-4-14(3)10(16)7-15-8(2)5-6-9(11(13)18)12(15)17/h5-6H,4,7H2,1-3H3,(H2,13,18)
InChIKeyFYRNOYNKACUOCO-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.27
Rot. Bonds4

About 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide

2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide (PubChem CID 107073308) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
PubChem CID107073308
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C12H17N3O2S/c1-4-14(3)10(16)7-15-8(2)5-6-9(11(13)18)12(15)17/h5-6H,4,7H2,1-3H3,(H2,13,18)
InChIKeyFYRNOYNKACUOCO-UHFFFAOYSA-N
XLogP0.27
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide (CID 107073308) is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide is CCN(C)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-ethyl-N-methylacetamide?
The InChIKey is FYRNOYNKACUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-14(3)10(16)7-15-8(2)5-6-9(11(13)18)12(15)17/h5-6H,4,7H2,1-3H3,(H2,13,18).
What are the key properties of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide?
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide has a molecular weight of 267.35 g/mol, XLogP of 0.27, 4 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-ethyl-N-methylacetamide is sourced from PubChem (CID 107073308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).