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

C12H19N3S — CID 61177282

IUPAC2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CC)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C12H19N3S/c1-5-15(6-2)12-10(11(13)16)8(3)7-9(4)14-12/h7H,5-6H2,1-4H3,(H2,13,16)
InChIKeyVAKRLSZDXRQDKY-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.18
Rot. Bonds4

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

2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61177282) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61177282
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CC)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C12H19N3S/c1-5-15(6-2)12-10(11(13)16)8(3)7-9(4)14-12/h7H,5-6H2,1-4H3,(H2,13,16)
InChIKeyVAKRLSZDXRQDKY-UHFFFAOYSA-N
XLogP2.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61437514
2-[1-hydroxypropan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 113426031
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 107479877
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989057
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
methyl 3-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]propanoate
CID 55001700
2-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 102993623
2-[furan-3-ylmethyl(methyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 61422717
2-[(3-fluorophenyl)methyl-methylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61175772
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 61424883
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054890
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 61177677

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide (CID 61177282) is 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide is CCN(CC)c1nc(C)cc(C)c1C(N)=S.
What is the InChIKey of 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is VAKRLSZDXRQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-5-15(6-2)12-10(11(13)16)8(3)7-9(4)14-12/h7H,5-6H2,1-4H3,(H2,13,16).
What are the key properties of 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide?
2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 237.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61177282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).