2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide

C11H12F3N3S — CID 79877582

IUPAC2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCC1CC1Nc1nc(C(F)(F)F)ccc1C(N)=S
InChIInChI=1S/C11H12F3N3S/c1-5-4-7(5)16-10-6(9(15)18)2-3-8(17-10)11(12,13)14/h2-3,5,7H,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLCENFPKLBHHJSJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide

2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide (PubChem CID 79877582) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
PubChem CID79877582
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCC1CC1Nc1nc(C(F)(F)F)ccc1C(N)=S
InChIInChI=1S/C11H12F3N3S/c1-5-4-7(5)16-10-6(9(15)18)2-3-8(17-10)11(12,13)14/h2-3,5,7H,4H2,1H3,(H2,15,18)(H,16,17)
InChIKeyLCENFPKLBHHJSJ-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.55
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-[(2-methylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877316
2-(2-bicyclo[2.2.1]heptanylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874112
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 106256366
2-[(3-hydroxycyclobutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868949
4-[(2-methylcyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62410133
6-(trifluoromethyl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carbothioamide
CID 79877179
2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
2-[(6-oxopiperidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79873897
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877180
2-(4-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876699
2-(2-methylpentan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877314

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The IUPAC name of 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide (CID 79877582) is 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The canonical SMILES for 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide is CC1CC1Nc1nc(C(F)(F)F)ccc1C(N)=S.
What is the InChIKey of 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
The InChIKey is LCENFPKLBHHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-5-4-7(5)16-10-6(9(15)18)2-3-8(17-10)11(12,13)14/h2-3,5,7H,4H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide?
2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide has a molecular weight of 275.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide is sourced from PubChem (CID 79877582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).