N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H24F3N7OS — CID 129232529

IUPACN-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C1CN(c2nc(C)ns2)CC(C)C1Nc1nc2c(OCCCC(F)(F)F)cccn2n1
InChIInChI=1S/C20H24F3N7OS/c1-12-10-29(19-24-14(3)28-32-19)11-13(2)16(12)25-18-26-17-15(6-4-8-30(17)27-18)31-9-5-7-20(21,22)23/h4,6,8,13,16H,1,5,7,9-11H2,2-3H3,(H,25,27)
InChIKeyFKOSWIPJRLPSME-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.10
Rot. Bonds7

About N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232529) has the molecular formula C20H24F3N7OS and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232529
Molecular FormulaC20H24F3N7OS
Molecular Weight467.52 g/mol
Exact Mass467.17
IUPAC NameN-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C1CN(c2nc(C)ns2)CC(C)C1Nc1nc2c(OCCCC(F)(F)F)cccn2n1
InChIInChI=1S/C20H24F3N7OS/c1-12-10-29(19-24-14(3)28-32-19)11-13(2)16(12)25-18-26-17-15(6-4-8-30(17)27-18)31-9-5-7-20(21,22)23/h4,6,8,13,16H,1,5,7,9-11H2,2-3H3,(H,25,27)
InChIKeyFKOSWIPJRLPSME-UHFFFAOYSA-N
XLogP4.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8-(3-Pyridin-3-yloxyazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53323196
CID 129216615
CID 129216615
CID 129232085
CID 129232085
CID 129232711
CID 129232711
8-(2,2,2-trifluoroethoxy)-N-[(1S,5R)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232769
CID 129234474
CID 129234474
CID 137379517
CID 137379517
CID 145762847
CID 145762847
CID 145762862
CID 145762862
N-[(1S,5R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 145762865
N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(oxetan-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 156011325
N-[(1S,5R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 156012915

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232529) is N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=C1CN(c2nc(C)ns2)CC(C)C1Nc1nc2c(OCCCC(F)(F)F)cccn2n1.
What is the InChIKey of N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FKOSWIPJRLPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7OS/c1-12-10-29(19-24-14(3)28-32-19)11-13(2)16(12)25-18-26-17-15(6-4-8-30(17)27-18)31-9-5-7-20(21,22)23/h4,6,8,13,16H,1,5,7,9-11H2,2-3H3,(H,25,27).
What are the key properties of N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 467.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-methylidene-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).