N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H15F3N4S — CID 107305067

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)15-7-3-5-18-4-1-2-8(18)6-7/h7-8H,1-6H2,(H,15,16,17)
InChIKeyBRRWBLGNMBYTEZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.60
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305067) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305067
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)15-7-3-5-18-4-1-2-8(18)6-7/h7-8H,1-6H2,(H,15,16,17)
InChIKeyBRRWBLGNMBYTEZ-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305067) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NC2CCN3CCCC3C2)n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BRRWBLGNMBYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)9-16-10(19-17-9)15-7-3-5-18-4-1-2-8(18)6-7/h7-8H,1-6H2,(H,15,16,17).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 292.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).