2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide

C13H16F3N3OS — CID 79876342

IUPAC2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CC(C)O1
InChIInChI=1S/C13H16F3N3OS/c1-7-5-19(6-8(2)20-7)12-9(11(17)21)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,21)
InChIKeyGRDDVYTWGVYFIQ-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.35
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide

2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide (PubChem CID 79876342) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
PubChem CID79876342
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CC(C)O1
InChIInChI=1S/C13H16F3N3OS/c1-7-5-19(6-8(2)20-7)12-9(11(17)21)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,21)
InChIKeyGRDDVYTWGVYFIQ-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-morpholino-4-(trifluoromethyl)nicotinonitrile
CID 3789900
2,4-Dimethyl-6-(morpholin-4-yl)pyridin-3-amine
CID 66862754
2,6-Dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]morpholine
CID 4342950
4-(6-Methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56918939
4-[6-(Trifluoromethyl)pyridin-2-yl]morpholine
CID 26596973
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyridin-2-amine
CID 53623340
2-Methyl-4-[1-(6-methylpyridin-2-YL)piperidin-4-YL]morpholine
CID 86797178
4-[[1-(6-Methylpyridin-2-yl)piperidin-3-yl]methyl]morpholine
CID 86797229
1-[Methyl-(6-methylpyridin-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 86797275
[(2S)-4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
CID 125435383
(2R)-2-(fluoromethyl)-4-(6-methyl-2-pyridinyl)morpholine
CID 129348618
2-Morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide (CID 79876342) is 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide is CC1CN(c2nc(C(F)(F)F)ccc2C(N)=S)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The InChIKey is GRDDVYTWGVYFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-7-5-19(6-8(2)20-7)12-9(11(17)21)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,21).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide?
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide has a molecular weight of 319.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide is sourced from PubChem (CID 79876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).