N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide

C11H13F3N6O2S — CID 110401899

IUPACN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1nn2c(C(F)(F)F)nnc2s1)N1CCOCC1
InChIInChI=1S/C11H13F3N6O2S/c12-11(13,14)8-16-17-10-20(8)18-7(23-10)1-2-15-9(21)19-3-5-22-6-4-19/h1-6H2,(H,15,21)
InChIKeyMDIAUSYWGXUHFO-UHFFFAOYSA-N
MW350.33 g/mol
LogP0.79
Rot. Bonds3

About N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide

N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide (PubChem CID 110401899) has the molecular formula C11H13F3N6O2S and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide
PubChem CID110401899
Molecular FormulaC11H13F3N6O2S
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCc1nn2c(C(F)(F)F)nnc2s1)N1CCOCC1
InChIInChI=1S/C11H13F3N6O2S/c12-11(13,14)8-16-17-10-20(8)18-7(23-10)1-2-15-9(21)19-3-5-22-6-4-19/h1-6H2,(H,15,21)
InChIKeyMDIAUSYWGXUHFO-UHFFFAOYSA-N
XLogP0.79
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1-dimethyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]urea
CID 110401897
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]morpholine-4-carboxamide
CID 110401413
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide
CID 110401910
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide
CID 110401999
4-fluoro-N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]benzenesulfonamide
CID 110401915
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine
CID 114352942
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207
N-propylmorpholine-4-carboxamide
CID 3410822

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide (CID 110401899) is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide is O=C(NCCc1nn2c(C(F)(F)F)nnc2s1)N1CCOCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is MDIAUSYWGXUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O2S/c12-11(13,14)8-16-17-10-20(8)18-7(23-10)1-2-15-9(21)19-3-5-22-6-4-19/h1-6H2,(H,15,21).
What are the key properties of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide?
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 110401899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).