2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide

C14H23N3S — CID 113471759

IUPAC2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
SMILESCCCC(C)(C)Nc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C14H23N3S/c1-6-7-14(4,5)17-11-8-9(2)16-10(3)12(11)13(15)18/h8H,6-7H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyIQZHFGCFYNEXFL-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.32
Rot. Bonds5

About 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide

2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide (PubChem CID 113471759) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
PubChem CID113471759
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
SMILESCCCC(C)(C)Nc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C14H23N3S/c1-6-7-14(4,5)17-11-8-9(2)16-10(3)12(11)13(15)18/h8H,6-7H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyIQZHFGCFYNEXFL-UHFFFAOYSA-N
XLogP3.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.32
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

3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106096783
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
2,6-dimethyl-4-(octylamino)pyridine-3-carbothioamide
CID 115568255
2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060049
4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054632
4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81061276
2,6-dimethyl-4-(3-methylsulfanylpropylamino)pyridine-3-carbothioamide
CID 81053938
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 106372577
4-[(5-bromothiophen-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054915
2,6-dimethyl-4-(2-propylanilino)pyridine-3-carbothioamide
CID 81060217
2,6-dimethyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carbothioamide
CID 81053939

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide?
The IUPAC name of 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide (CID 113471759) is 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide?
The canonical SMILES for 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide is CCCC(C)(C)Nc1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide?
The InChIKey is IQZHFGCFYNEXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-6-7-14(4,5)17-11-8-9(2)16-10(3)12(11)13(15)18/h8H,6-7H2,1-5H3,(H2,15,18)(H,16,17).
What are the key properties of 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide?
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide has a molecular weight of 265.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide is sourced from PubChem (CID 113471759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).