2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide

C11H10F3N5S — CID 79877653

IUPAC2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCn1ccc(Nc2nc(C(F)(F)F)ccc2C(N)=S)n1
InChIInChI=1S/C11H10F3N5S/c1-19-5-4-8(18-19)17-10-6(9(15)20)2-3-7(16-10)11(12,13)14/h2-5H,1H3,(H2,15,20)(H,16,17,18)
InChIKeyJLLXGIXAVGISLS-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.21
Rot. Bonds3

About 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide

2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide (PubChem CID 79877653) has the molecular formula C11H10F3N5S and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
PubChem CID79877653
Molecular FormulaC11H10F3N5S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCn1ccc(Nc2nc(C(F)(F)F)ccc2C(N)=S)n1
InChIInChI=1S/C11H10F3N5S/c1-19-5-4-8(18-19)17-10-6(9(15)20)2-3-7(16-10)11(12,13)14/h2-5H,1H3,(H2,15,20)(H,16,17,18)
InChIKeyJLLXGIXAVGISLS-UHFFFAOYSA-N
XLogP2.21
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876702
N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79778691
2-(pyrimidin-5-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 107588820
6-(trifluoromethyl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carbothioamide
CID 79877179
2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877582
2-(4-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876699
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877180
2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876845
2-(2-methylpentan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877314
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 106256366
2-(hexan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877381
2-[(2-methylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877316

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide (CID 79877653) is 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide is Cn1ccc(Nc2nc(C(F)(F)F)ccc2C(N)=S)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The InChIKey is JLLXGIXAVGISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S/c1-19-5-4-8(18-19)17-10-6(9(15)20)2-3-7(16-10)11(12,13)14/h2-5H,1H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide has a molecular weight of 301.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide is sourced from PubChem (CID 79877653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).