1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide

C10H14N2O3S — CID 146452049

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCOCCO)c1=S
InChIInChI=1S/C10H14N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,14)
InChIKeyJSHHHZBONKOPAI-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.33
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide

1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452049) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452049
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(CCOCCO)c1=S
InChIInChI=1S/C10H14N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,14)
InChIKeyJSHHHZBONKOPAI-UHFFFAOYSA-N
XLogP0.33
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide (CID 146452049) is 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide is NC(=O)c1cccn(CCOCCO)c1=S.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is JSHHHZBONKOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-9(14)8-2-1-3-12(10(8)16)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,14).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide?
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).