5-ethyl-N-phenylpyridine-2-carbothioamide

C14H14N2S — CID 730057

IUPAC5-ethyl-N-phenylpyridine-2-carbothioamide
SMILESCCc1ccc(C(=S)Nc2ccccc2)nc1
InChIInChI=1S/C14H14N2S/c1-2-11-8-9-13(15-10-11)14(17)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17)
InChIKeyBOXPADXBMOGYIS-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.43
Rot. Bonds3

About 5-ethyl-N-phenylpyridine-2-carbothioamide

5-ethyl-N-phenylpyridine-2-carbothioamide (PubChem CID 730057) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-ethyl-N-phenylpyridine-2-carbothioamide.

Molecular Properties

Compound Name5-ethyl-N-phenylpyridine-2-carbothioamide
PubChem CID730057
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name5-ethyl-N-phenylpyridine-2-carbothioamide
SMILESCCc1ccc(C(=S)Nc2ccccc2)nc1
InChIInChI=1S/C14H14N2S/c1-2-11-8-9-13(15-10-11)14(17)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17)
InChIKeyBOXPADXBMOGYIS-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-phenylpyridine-2-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 5-ethyl-N-phenylpyridine-2-carbothioamide?
The IUPAC name of 5-ethyl-N-phenylpyridine-2-carbothioamide (CID 730057) is 5-ethyl-N-phenylpyridine-2-carbothioamide.
What is the SMILES notation for 5-ethyl-N-phenylpyridine-2-carbothioamide?
The canonical SMILES for 5-ethyl-N-phenylpyridine-2-carbothioamide is CCc1ccc(C(=S)Nc2ccccc2)nc1.
What is the InChIKey of 5-ethyl-N-phenylpyridine-2-carbothioamide?
The InChIKey is BOXPADXBMOGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-11-8-9-13(15-10-11)14(17)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-N-phenylpyridine-2-carbothioamide?
5-ethyl-N-phenylpyridine-2-carbothioamide has a molecular weight of 242.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-phenylpyridine-2-carbothioamide is sourced from PubChem (CID 730057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).