2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide

C16H19N3S — CID 114767407

IUPAC2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C16H19N3S/c1-10-6-4-5-7-14(10)12(3)19-15-9-13(16(17)20)8-11(2)18-15/h4-9,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyNQJYFVCFGKXULZ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.51
Rot. Bonds4

About 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide

2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide (PubChem CID 114767407) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
PubChem CID114767407
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C16H19N3S/c1-10-6-4-5-7-14(10)12(3)19-15-9-13(16(17)20)8-11(2)18-15/h4-9,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyNQJYFVCFGKXULZ-UHFFFAOYSA-N
XLogP3.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.51
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-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767412
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
2-methyl-6-(3-phenylbutylamino)pyridine-4-carbothioamide
CID 114767627
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100744494
2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80960560
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide (CID 114767407) is 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC(C)c2ccccc2C)n1.
What is the InChIKey of 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide?
The InChIKey is NQJYFVCFGKXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-6-4-5-7-14(10)12(3)19-15-9-13(16(17)20)8-11(2)18-15/h4-9,12H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide?
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).