2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide

C15H17N3S — CID 114767560

IUPAC2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H17N3S/c1-10-6-4-5-7-13(10)18(3)14-9-12(15(16)19)8-11(2)17-14/h4-9H,1-3H3,(H2,16,19)
InChIKeyQSGDQWWTOHDJHE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.10
Rot. Bonds3

About 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide

2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide (PubChem CID 114767560) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
PubChem CID114767560
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H17N3S/c1-10-6-4-5-7-13(10)18(3)14-9-12(15(16)19)8-11(2)17-14/h4-9H,1-3H3,(H2,16,19)
InChIKeyQSGDQWWTOHDJHE-UHFFFAOYSA-N
XLogP3.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N,2-dimethylanilino)-6-methylpyridine-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

Related Compounds

2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767632
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-4-carbothioamide
CID 114767323
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 114767240
2-(N-ethyl-3-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767300
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
ethyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)-ethylamino]acetate
CID 114767466
2-(N-ethyl-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 114767566
2-(N,2-dimethylanilino)quinoline-4-carbonitrile
CID 63884306
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155
2-[2-hydroxyethyl(propyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767331
2-bromo-6-(N,2-dimethylanilino)benzenecarbothioamide
CID 114882297

Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide (CID 114767560) is 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N(C)c2ccccc2C)n1.
What is the InChIKey of 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The InChIKey is QSGDQWWTOHDJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-6-4-5-7-13(10)18(3)14-9-12(15(16)19)8-11(2)17-14/h4-9H,1-3H3,(H2,16,19).
What are the key properties of 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide?
2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).