2-oxo-1H-pyridine-3-carbothioamide

C6H6N2OS — CID 43165067

IUPAC2-oxo-1H-pyridine-3-carbothioamide
SMILESNC(=S)c1ccc[nH]c1=O
InChIInChI=1S/C6H6N2OS/c7-5(10)4-2-1-3-8-6(4)9/h1-3H,(H2,7,10)(H,8,9)
InChIKeyZVEQJBBGCYXKJN-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.01
Rot. Bonds1

About 2-oxo-1H-pyridine-3-carbothioamide

2-oxo-1H-pyridine-3-carbothioamide (PubChem CID 43165067) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3-carbothioamide
PubChem CID43165067
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-oxo-1H-pyridine-3-carbothioamide
SMILESNC(=S)c1ccc[nH]c1=O
InChIInChI=1S/C6H6N2OS/c7-5(10)4-2-1-3-8-6(4)9/h1-3H,(H2,7,10)(H,8,9)
InChIKeyZVEQJBBGCYXKJN-UHFFFAOYSA-N
XLogP0.01
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
2-Hydroxy-3-pyridinecarboxamide
CID 258299
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
3-(Aminomethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 12847833
2-Hydroxypyridine-4-carbothioamide
CID 43165068
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
2-Mercaptonicotinamide
CID 4143093
1,2-Dihydropyridine-3-carboxamide
CID 5231521
3-[(Methylamino)methyl]-1,2-dihydropyridin-2-one
CID 70230414
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
3-Thionicotinyl-urea
CID 91623248

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3-carbothioamide?
The IUPAC name of 2-oxo-1H-pyridine-3-carbothioamide (CID 43165067) is 2-oxo-1H-pyridine-3-carbothioamide.
What is the SMILES notation for 2-oxo-1H-pyridine-3-carbothioamide?
The canonical SMILES for 2-oxo-1H-pyridine-3-carbothioamide is NC(=S)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-pyridine-3-carbothioamide?
The InChIKey is ZVEQJBBGCYXKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-5(10)4-2-1-3-8-6(4)9/h1-3H,(H2,7,10)(H,8,9).
What are the key properties of 2-oxo-1H-pyridine-3-carbothioamide?
2-oxo-1H-pyridine-3-carbothioamide has a molecular weight of 154.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-3-carbothioamide is sourced from PubChem (CID 43165067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).