N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C12H17F3N4S — CID 107305306

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H17F3N4S/c1-2-19(9-5-7-3-4-8(6-9)16-7)11-17-10(18-20-11)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyYHWLFDKSWBPHMS-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.67
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305306) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305306
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H17F3N4S/c1-2-19(9-5-7-3-4-8(6-9)16-7)11-17-10(18-20-11)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyYHWLFDKSWBPHMS-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305306) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YHWLFDKSWBPHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-2-19(9-5-7-3-4-8(6-9)16-7)11-17-10(18-20-11)12(13,14)15/h7-9,16H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 306.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).