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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 112445
CID 112445
CID 970757
CID 970757
CID 3342380
CID 3342380
CID 1952370
CID 1952370
CID 1959621
CID 1959621
CID 2987777
CID 2987777
CID 5771255
CID 5771255
CID 3792909
CID 3792909
CID 2991704
CID 2991704
CID 13608509
CID 13608509
CID 59939125
CID 59939125
CID 3008837
CID 3008837

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).