2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide

C10H15N3OS — CID 60981724

IUPAC2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
SMILESCCN(CCO)c1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-2-13(5-6-14)9-7-8(10(11)15)3-4-12-9/h3-4,7,14H,2,5-6H2,1H3,(H2,11,15)
InChIKeyJUEXNGXWENNVLH-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.53
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide

2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide (PubChem CID 60981724) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
PubChem CID60981724
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
SMILESCCN(CCO)c1cc(C(N)=S)ccn1
InChIInChI=1S/C10H15N3OS/c1-2-13(5-6-14)9-7-8(10(11)15)3-4-12-9/h3-4,7,14H,2,5-6H2,1H3,(H2,11,15)
InChIKeyJUEXNGXWENNVLH-UHFFFAOYSA-N
XLogP0.53
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide 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 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide (CID 60981724) is 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide is CCN(CCO)c1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide?
The InChIKey is JUEXNGXWENNVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-13(5-6-14)9-7-8(10(11)15)3-4-12-9/h3-4,7,14H,2,5-6H2,1H3,(H2,11,15).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide?
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide has a molecular weight of 225.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 60981724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).