5-(2-chlorophenoxy)pyridine-2-carbothioamide

C12H9ClN2OS — CID 113321027

IUPAC5-(2-chlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccccc2Cl)cn1
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-2-4-11(9)16-8-5-6-10(12(14)17)15-7-8/h1-7H,(H2,14,17)
InChIKeyLTHOYYHBUJCETK-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.16
Rot. Bonds3

About 5-(2-chlorophenoxy)pyridine-2-carbothioamide

5-(2-chlorophenoxy)pyridine-2-carbothioamide (PubChem CID 113321027) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-chlorophenoxy)pyridine-2-carbothioamide
PubChem CID113321027
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name5-(2-chlorophenoxy)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccccc2Cl)cn1
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-2-4-11(9)16-8-5-6-10(12(14)17)15-7-8/h1-7H,(H2,14,17)
InChIKeyLTHOYYHBUJCETK-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-chlorophenoxy)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

Related Compounds

5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
CID 115488843
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
CID 115041207
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
5-[(4-chlorophenyl)methoxy]pyridine-2-carbothioamide
CID 115488934
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carbothioamide
CID 115488946
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
5-(4-propoxyphenoxy)pyridine-2-carbothioamide
CID 115488868

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-chlorophenoxy)pyridine-2-carbothioamide (CID 113321027) is 5-(2-chlorophenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-chlorophenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-chlorophenoxy)pyridine-2-carbothioamide is NC(=S)c1ccc(Oc2ccccc2Cl)cn1.
What is the InChIKey of 5-(2-chlorophenoxy)pyridine-2-carbothioamide?
The InChIKey is LTHOYYHBUJCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-9-3-1-2-4-11(9)16-8-5-6-10(12(14)17)15-7-8/h1-7H,(H2,14,17).
What are the key properties of 5-(2-chlorophenoxy)pyridine-2-carbothioamide?
5-(2-chlorophenoxy)pyridine-2-carbothioamide has a molecular weight of 264.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 113321027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).