1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide

C11H16N2O2S — CID 107073396

IUPAC1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(=O)n1CC(C)CO
InChIInChI=1S/C11H16N2O2S/c1-7(6-14)5-13-8(2)3-4-9(10(12)16)11(13)15/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16)
InChIKeyLRIFMRUBIMIWGG-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.42
Rot. Bonds4

About 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide

1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide (PubChem CID 107073396) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
PubChem CID107073396
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(=O)n1CC(C)CO
InChIInChI=1S/C11H16N2O2S/c1-7(6-14)5-13-8(2)3-4-9(10(12)16)11(13)15/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16)
InChIKeyLRIFMRUBIMIWGG-UHFFFAOYSA-N
XLogP0.42
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 107073408
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
CID 97058136
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 107073295
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
CID 107073308
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073299
6-methyl-2-oxo-1-(4-phenylbutyl)pyridine-3-carbothioamide
CID 107073266
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
butyl 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)acetate
CID 107073384

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide (CID 107073396) is 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(=O)n1CC(C)CO.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide?
The InChIKey is LRIFMRUBIMIWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(6-14)5-13-8(2)3-4-9(10(12)16)11(13)15/h3-4,7,14H,5-6H2,1-2H3,(H2,12,16).
What are the key properties of 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide?
1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide has a molecular weight of 240.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107073396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).