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

C8H12N2OS — CID 143328316

IUPACethane;2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC.NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS.C2H6/c7-5(9)4-2-1-3-8-6(4)10;1-2/h1-3H,(H2,7,9)(H,8,10);1-2H3
InChIKeyUOXDVFXSRMMCAH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.87
Rot. Bonds1

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

ethane;2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 143328316) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is ethane;2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID143328316
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameethane;2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCC.NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS.C2H6/c7-5(9)4-2-1-3-8-6(4)10;1-2/h1-3H,(H2,7,9)(H,8,10);1-2H3
InChIKeyUOXDVFXSRMMCAH-UHFFFAOYSA-N
XLogP1.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.87
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

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
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
1-Propan-2-yl-2-sulfanylidenepyridine-3-carboxamide
CID 21789696
a-Ethyl-thioisonicotinamide
CID 129730118

Frequently Asked Questions

What is the IUPAC name of ethane;2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of ethane;2-sulfanylidene-1H-pyridine-3-carboxamide (CID 143328316) is ethane;2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for ethane;2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for ethane;2-sulfanylidene-1H-pyridine-3-carboxamide is CC.NC(=O)c1ccc[nH]c1=S.
What is the InChIKey of ethane;2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is UOXDVFXSRMMCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS.C2H6/c7-5(9)4-2-1-3-8-6(4)10;1-2/h1-3H,(H2,7,9)(H,8,10);1-2H3.
What are the key properties of ethane;2-sulfanylidene-1H-pyridine-3-carboxamide?
ethane;2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 143328316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).