4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide

C10H15N3S — CID 81060050

IUPAC4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCCNc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C10H15N3S/c1-4-12-8-5-6(2)13-7(3)9(8)10(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyFQAYBBWNOATDDT-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.76
Rot. Bonds3

About 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide

4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81060050) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81060050
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCCNc1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C10H15N3S/c1-4-12-8-5-6(2)13-7(3)9(8)10(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyFQAYBBWNOATDDT-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.76
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

2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
2,6-dimethyl-4-(octylamino)pyridine-3-carbothioamide
CID 115568255
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
CID 113471759
4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054632
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060049
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
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
2,6-dimethyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carbothioamide
CID 81053939
3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106096783
4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053930
2,6-dimethyl-4-(pyridazin-3-ylmethylamino)pyridine-3-carbothioamide
CID 106896306

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide (CID 81060050) is 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide is CCNc1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is FQAYBBWNOATDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-12-8-5-6(2)13-7(3)9(8)10(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide?
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 209.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81060050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).