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

C11H15N3O2S — CID 107073408

IUPAC2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCc1ccc(C(N)=S)c(=O)n1CC(=O)N(C)C
InChIInChI=1S/C11H15N3O2S/c1-7-4-5-8(10(12)17)11(16)14(7)6-9(15)13(2)3/h4-5H,6H2,1-3H3,(H2,12,17)
InChIKeyNVJCEIMRDISMFZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.12
Rot. Bonds3

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

2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (PubChem CID 107073408) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
PubChem CID107073408
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
SMILESCc1ccc(C(N)=S)c(=O)n1CC(=O)N(C)C
InChIInChI=1S/C11H15N3O2S/c1-7-4-5-8(10(12)17)11(16)14(7)6-9(15)13(2)3/h4-5H,6H2,1-3H3,(H2,12,17)
InChIKeyNVJCEIMRDISMFZ-UHFFFAOYSA-N
XLogP-0.12
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
CID 107073308
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 107073295
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 97181440
butyl 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)acetate
CID 107073384
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073396
6-methyl-2-oxo-1-(4-phenylbutyl)pyridine-3-carbothioamide
CID 107073266
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073299
1-[2-(3-methoxypropoxy)ethyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073334
6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
CID 107073250

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide (CID 107073408) is 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide is Cc1ccc(C(N)=S)c(=O)n1CC(=O)N(C)C.
What is the InChIKey of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
The InChIKey is NVJCEIMRDISMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-4-5-8(10(12)17)11(16)14(7)6-9(15)13(2)3/h4-5H,6H2,1-3H3,(H2,12,17).
What are the key properties of 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide?
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide has a molecular weight of 253.33 g/mol, XLogP of -0.12, 3 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-dimethylacetamide is sourced from PubChem (CID 107073408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).