2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide

C17H21N3S — CID 114767051

IUPAC2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCCc1cccc(CC)c1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C17H21N3S/c1-4-12-7-6-8-13(5-2)16(12)20-15-10-14(17(18)21)9-11(3)19-15/h6-10H,4-5H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZOWWHWZDOASSSG-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.89
Rot. Bonds5

About 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide

2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide (PubChem CID 114767051) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
PubChem CID114767051
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
SMILESCCc1cccc(CC)c1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C17H21N3S/c1-4-12-7-6-8-13(5-2)16(12)20-15-10-14(17(18)21)9-11(3)19-15/h6-10H,4-5H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZOWWHWZDOASSSG-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
CID 64588022
2-methyl-6-[3-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114767055
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 107463320
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
2-(3-chloro-4-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767034
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767192
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide (CID 114767051) is 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide is CCc1cccc(CC)c1Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide?
The InChIKey is ZOWWHWZDOASSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-12-7-6-8-13(5-2)16(12)20-15-10-14(17(18)21)9-11(3)19-15/h6-10H,4-5H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide?
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide has a molecular weight of 299.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).