N-(3,5-dichlorophenyl)pyridine-2-carbothioamide

C12H8Cl2N2S — CID 14510223

IUPACN-(3,5-dichlorophenyl)pyridine-2-carbothioamide
SMILESS=C(Nc1cc(Cl)cc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2S/c13-8-5-9(14)7-10(6-8)16-12(17)11-3-1-2-4-15-11/h1-7H,(H,16,17)
InChIKeyWKHWVISQIJGSGJ-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.18
Rot. Bonds2

About N-(3,5-dichlorophenyl)pyridine-2-carbothioamide

N-(3,5-dichlorophenyl)pyridine-2-carbothioamide (PubChem CID 14510223) has the molecular formula C12H8Cl2N2S and a molecular weight of 283.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)pyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)pyridine-2-carbothioamide
PubChem CID14510223
Molecular FormulaC12H8Cl2N2S
Molecular Weight283.18 g/mol
Exact Mass281.98
IUPAC NameN-(3,5-dichlorophenyl)pyridine-2-carbothioamide
SMILESS=C(Nc1cc(Cl)cc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2S/c13-8-5-9(14)7-10(6-8)16-12(17)11-3-1-2-4-15-11/h1-7H,(H,16,17)
InChIKeyWKHWVISQIJGSGJ-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichlorophenyl)pyridine-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 N-(3,5-dichlorophenyl)pyridine-2-carbothioamide?
The IUPAC name of N-(3,5-dichlorophenyl)pyridine-2-carbothioamide (CID 14510223) is N-(3,5-dichlorophenyl)pyridine-2-carbothioamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)pyridine-2-carbothioamide?
The canonical SMILES for N-(3,5-dichlorophenyl)pyridine-2-carbothioamide is S=C(Nc1cc(Cl)cc(Cl)c1)c1ccccn1.
What is the InChIKey of N-(3,5-dichlorophenyl)pyridine-2-carbothioamide?
The InChIKey is WKHWVISQIJGSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2S/c13-8-5-9(14)7-10(6-8)16-12(17)11-3-1-2-4-15-11/h1-7H,(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)pyridine-2-carbothioamide?
N-(3,5-dichlorophenyl)pyridine-2-carbothioamide has a molecular weight of 283.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)pyridine-2-carbothioamide is sourced from PubChem (CID 14510223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).