2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole

C11H14F3N3S — CID 134790741

IUPAC2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
SMILESFC(F)(F)CN1C2CCC1CN(c1nccs1)C2
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)7-17-8-1-2-9(17)6-16(5-8)10-15-3-4-18-10/h3-4,8-9H,1-2,5-7H2
InChIKeyKPBOJLWKMGONBI-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.36
Rot. Bonds2

About 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole

2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole (PubChem CID 134790741) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
PubChem CID134790741
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
SMILESFC(F)(F)CN1C2CCC1CN(c1nccs1)C2
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)7-17-8-1-2-9(17)6-16(5-8)10-15-3-4-18-10/h3-4,8-9H,1-2,5-7H2
InChIKeyKPBOJLWKMGONBI-UHFFFAOYSA-N
XLogP2.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The IUPAC name of 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole (CID 134790741) is 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole is FC(F)(F)CN1C2CCC1CN(c1nccs1)C2.
What is the InChIKey of 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
The InChIKey is KPBOJLWKMGONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c12-11(13,14)7-17-8-1-2-9(17)6-16(5-8)10-15-3-4-18-10/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole?
2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole has a molecular weight of 277.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole is sourced from PubChem (CID 134790741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).