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

C13H15F3N6O2S — CID 110401579

IUPACN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1nn2cnnc2s1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N6O2S/c14-13(15,16)11(24)21-5-2-8(3-6-21)10(23)17-4-1-9-20-22-7-18-19-12(22)25-9/h7-8H,1-6H2,(H,17,23)
InChIKeyOCWDVPAVQKNYAR-UHFFFAOYSA-N
MW376.36 g/mol
LogP0.65
Rot. Bonds4

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

N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110401579) has the molecular formula C13H15F3N6O2S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110401579
Molecular FormulaC13H15F3N6O2S
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC NameN-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1nn2cnnc2s1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N6O2S/c14-13(15,16)11(24)21-5-2-8(3-6-21)10(23)17-4-1-9-20-22-7-18-19-12(22)25-9/h7-8H,1-6H2,(H,17,23)
InChIKeyOCWDVPAVQKNYAR-UHFFFAOYSA-N
XLogP0.65
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110401579) is N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCc1nn2cnnc2s1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is OCWDVPAVQKNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2S/c14-13(15,16)11(24)21-5-2-8(3-6-21)10(23)17-4-1-9-20-22-7-18-19-12(22)25-9/h7-8H,1-6H2,(H,17,23).
What are the key properties of N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110401579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).