2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide

C11H14F3N3S — CID 81054825

IUPAC2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide
SMILESCc1cc(N(C)CC(F)(F)F)c(C(N)=S)c(C)n1
InChIInChI=1S/C11H14F3N3S/c1-6-4-8(17(3)5-11(12,13)14)9(10(15)18)7(2)16-6/h4H,5H2,1-3H3,(H2,15,18)
InChIKeyHZOMINLQDMMNDO-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.33
Rot. Bonds3

About 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide

2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide (PubChem CID 81054825) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide
PubChem CID81054825
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide
SMILESCc1cc(N(C)CC(F)(F)F)c(C(N)=S)c(C)n1
InChIInChI=1S/C11H14F3N3S/c1-6-4-8(17(3)5-11(12,13)14)9(10(15)18)7(2)16-6/h4H,5H2,1-3H3,(H2,15,18)
InChIKeyHZOMINLQDMMNDO-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.33
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

Ethionamide
CID 2761171
Prothionamide
CID 666418
2-Methyl-4-pyrrolidin-1-yl-6-[(E)-2-(3-trifluoromethyl-phenyl)-vinyl]-pyridine
CID 9840567
2-Butyl-4-pyridinecarbothioamide
CID 129697907
2-Propan-2-ylpyridine-4-carbothioamide
CID 129934332
5-Ethyl-2-methylpyridin-4-amine
CID 219142
6-(Trifluoromethyl)thionicotinamide
CID 2777886
2-(2,2,2-Trifluoroethyl)pyridine-4-carbothioamide
CID 145982491
4,6-Dimethylpyridine-3-carbothioamide
CID 3000561
(2,6-Dimethylpyridin-4-yl)methanamine
CID 13582819
1-(4,6-Dimethylpyridin-2-yl)methanamine
CID 15845722
2-(4,6-Dimethyl-2-pyridinyl)ethanamine
CID 16640600

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide (CID 81054825) is 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide is Cc1cc(N(C)CC(F)(F)F)c(C(N)=S)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide?
The InChIKey is HZOMINLQDMMNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-6-4-8(17(3)5-11(12,13)14)9(10(15)18)7(2)16-6/h4H,5H2,1-3H3,(H2,15,18).
What are the key properties of 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide?
2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide has a molecular weight of 277.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 81054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).