N-(2,4-dimethylphenyl)pyridine-2-carbothioamide

C14H14N2S — CID 802201

IUPACN-(2,4-dimethylphenyl)pyridine-2-carbothioamide
SMILESCc1ccc(NC(=S)c2ccccn2)c(C)c1
InChIInChI=1S/C14H14N2S/c1-10-6-7-12(11(2)9-10)16-14(17)13-5-3-4-8-15-13/h3-9H,1-2H3,(H,16,17)
InChIKeyGQWLGOPNAWCYAQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.49
Rot. Bonds2

About N-(2,4-dimethylphenyl)pyridine-2-carbothioamide

N-(2,4-dimethylphenyl)pyridine-2-carbothioamide (PubChem CID 802201) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)pyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)pyridine-2-carbothioamide
PubChem CID802201
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC NameN-(2,4-dimethylphenyl)pyridine-2-carbothioamide
SMILESCc1ccc(NC(=S)c2ccccn2)c(C)c1
InChIInChI=1S/C14H14N2S/c1-10-6-7-12(11(2)9-10)16-14(17)13-5-3-4-8-15-13/h3-9H,1-2H3,(H,16,17)
InChIKeyGQWLGOPNAWCYAQ-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)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

N-(2-bromo-4-methylphenyl)pyridine-2-carbothioamide
CID 802864
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide
CID 134122710
N-[4-(pyridine-2-carbothioylamino)phenyl]pyridine-2-carbothioamide
CID 15592021
3-(2,4-dimethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea
CID 17371348
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 110857188
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
N-(4-fluorophenyl)pyridine-2-carbothioamide
CID 14510216
N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
CID 14510213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)pyridine-2-carbothioamide?
The IUPAC name of N-(2,4-dimethylphenyl)pyridine-2-carbothioamide (CID 802201) is N-(2,4-dimethylphenyl)pyridine-2-carbothioamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)pyridine-2-carbothioamide?
The canonical SMILES for N-(2,4-dimethylphenyl)pyridine-2-carbothioamide is Cc1ccc(NC(=S)c2ccccn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)pyridine-2-carbothioamide?
The InChIKey is GQWLGOPNAWCYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-10-6-7-12(11(2)9-10)16-14(17)13-5-3-4-8-15-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)pyridine-2-carbothioamide?
N-(2,4-dimethylphenyl)pyridine-2-carbothioamide has a molecular weight of 242.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)pyridine-2-carbothioamide is sourced from PubChem (CID 802201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).