2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide

C15H17N3S — CID 114767157

IUPAC2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3S/c1-9-4-5-13(6-10(9)2)18-14-8-12(15(16)19)7-11(3)17-14/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyXNVDMXNDVCKFTJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.38
Rot. Bonds3

About 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide

2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide (PubChem CID 114767157) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
PubChem CID114767157
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3S/c1-9-4-5-13(6-10(9)2)18-14-8-12(15(16)19)7-11(3)17-14/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyXNVDMXNDVCKFTJ-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-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-(3-chloro-4-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767034
2-methyl-6-[3-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114767055
4-(3,4-dimethylanilino)-3,5-difluorobenzenecarbothioamide
CID 81286157
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
CID 114767063
5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide (CID 114767157) is 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide?
The InChIKey is XNVDMXNDVCKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-4-5-13(6-10(9)2)18-14-8-12(15(16)19)7-11(3)17-14/h4-8H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide?
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).