2-sulfanylidene-1H-pyridine-3-carboxamide

C6H6N2OS — CID 4143093

IUPAC2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChIKeyJWGLQVHQUBWDSP-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.84
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-3-carboxamide

2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 4143093) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID4143093
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChIKeyJWGLQVHQUBWDSP-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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-Hydroxypyridine-3-carbothioamide
CID 43165067
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
3-Pyridinecarboxaldehyde, 2-mercapto-
CID 817888
1,2-Dihydropyridine-3-carboxamide
CID 5231521
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
3-Thionicotinyl-urea
CID 91623248
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 18167685
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502199

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3-carboxamide (CID 4143093) is 2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is JWGLQVHQUBWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-3-carboxamide?
2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 154.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4143093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).