4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide

C15H18N2O2S — CID 154674317

IUPAC4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide
SMILESCN1C(=O)C(C(=S)Nc2ccccc2)=C(O)CC1(C)C
InChIInChI=1S/C15H18N2O2S/c1-15(2)9-11(18)12(14(19)17(15)3)13(20)16-10-7-5-4-6-8-10/h4-8,18H,9H2,1-3H3,(H,16,20)
InChIKeyOLDDBKXUQKRQMD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds2

About 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide

4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide (PubChem CID 154674317) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide
PubChem CID154674317
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide
SMILESCN1C(=O)C(C(=S)Nc2ccccc2)=C(O)CC1(C)C
InChIInChI=1S/C15H18N2O2S/c1-15(2)9-11(18)12(14(19)17(15)3)13(20)16-10-7-5-4-6-8-10/h4-8,18H,9H2,1-3H3,(H,16,20)
InChIKeyOLDDBKXUQKRQMD-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-1-methyl-5-oxo-4-(phenylcarbamothioyl)cyclohex-3-ene-1-carboxylic acid
CID 137119518
3-hydroxy-1,2-dimethyl-5-oxo-4-(phenylcarbamothioyl)cyclohex-3-ene-1-carboxylic acid
CID 137119522
4-hydroxy-6-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-5-carbothioamide
CID 154674453
2,2,4-trimethyl-3-oxo-N-phenylpiperazine-1-carbothioamide
CID 115687514
3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide
CID 769151
2-hydroxy-6-oxo-N,4-diphenylcyclohexene-1-carbothioamide
CID 136992993
2-hydroxy-4-(hydroxymethyl)-6-oxo-N-phenylcyclohexene-1-carbothioamide
CID 137087486
3-hydroxy-N-(3-methylphenyl)-5-oxo-2H-furan-4-carbothioamide
CID 137277339
3-bromo-3-methyl-2-oxo-N-phenylazetidine-1-carbothioamide
CID 3003989
4-methyl-N-phenyldithiolane-4-carboxamide
CID 45111447
5,5-dimethyl-3-methylidene-N-phenylpyrazolidine-1-carbothioamide
CID 4617182
4-hydroxy-2-methyl-N-phenylbenzenecarbothioamide
CID 136822865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide?
The IUPAC name of 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide (CID 154674317) is 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide.
What is the SMILES notation for 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide?
The canonical SMILES for 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide is CN1C(=O)C(C(=S)Nc2ccccc2)=C(O)CC1(C)C.
What is the InChIKey of 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide?
The InChIKey is OLDDBKXUQKRQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2)9-11(18)12(14(19)17(15)3)13(20)16-10-7-5-4-6-8-10/h4-8,18H,9H2,1-3H3,(H,16,20).
What are the key properties of 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide?
4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,2,2-trimethyl-6-oxo-N-phenyl-3H-pyridine-5-carbothioamide is sourced from PubChem (CID 154674317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).