2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide

C12H19N3S — CID 114767006

IUPAC2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(C)(C)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3S/c1-5-12(3,4)15-10-7-9(11(13)16)6-8(2)14-10/h6-7H,5H2,1-4H3,(H2,13,16)(H,14,15)
InChIKeySWBDOHMLNGWORA-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide

2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114767006) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114767006
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(C)(C)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3S/c1-5-12(3,4)15-10-7-9(11(13)16)6-8(2)14-10/h6-7H,5H2,1-4H3,(H2,13,16)(H,14,15)
InChIKeySWBDOHMLNGWORA-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.62
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

N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide (CID 114767006) is 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide is CCC(C)(C)Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is SWBDOHMLNGWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-5-12(3,4)15-10-7-9(11(13)16)6-8(2)14-10/h6-7H,5H2,1-4H3,(H2,13,16)(H,14,15).
What are the key properties of 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide?
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 237.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114767006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).