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

C13H19F3N4S — CID 107305307

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H19F3N4S/c1-2-5-20(10-6-8-3-4-9(7-10)17-8)12-18-11(19-21-12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyRSGPGEWVPFEPCU-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.06
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305307) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305307
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H19F3N4S/c1-2-5-20(10-6-8-3-4-9(7-10)17-8)12-18-11(19-21-12)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyRSGPGEWVPFEPCU-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.06
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-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305307) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C(F)(F)F)ns1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RSGPGEWVPFEPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c1-2-5-20(10-6-8-3-4-9(7-10)17-8)12-18-11(19-21-12)13(14,15)16/h8-10,17H,2-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 320.38 g/mol, XLogP of 3.06, 4 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-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).