1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide

C8H10N2O2S — CID 146452050

IUPAC1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCO)c1=S
InChIInChI=1S/C8H10N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,11H,4-5H2,(H2,9,12)
InChIKeyPEJRONRSWGSOOU-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.31
Rot. Bonds3

About 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide

1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452050) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452050
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCO)c1=S
InChIInChI=1S/C8H10N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,11H,4-5H2,(H2,9,12)
InChIKeyPEJRONRSWGSOOU-UHFFFAOYSA-N
XLogP0.31
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.31
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-(3-hydroxypropyl)-2H-pyridine-3-carboxamide
CID 21881588
1-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
CID 21881597
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78856548
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
N-(1,3-dihydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537543
1-(2-Hydroxyethyl)-2-oxopyridine-3-carboxamide
CID 89857978
N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 129272774
N-(2-hydroxyprop-2-enyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 139492779
N,N-bis(2-hydroxyethyl)-2-sulfanyl-1,2-dihydropyridine-3-carboxamide
CID 141330972
1-(3-hydroxypropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330981
1-(2-hydroxyethyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330983

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide (CID 146452050) is 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide is NC(=O)c1cccn(CCO)c1=S.
What is the InChIKey of 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is PEJRONRSWGSOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-7(12)6-2-1-3-10(4-5-11)8(6)13/h1-3,11H,4-5H2,(H2,9,12).
What are the key properties of 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide?
1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).