5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

C10H11F3N2S — CID 90902428

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CC3CCC2N3)s1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)9-14-4-8(16-9)6-3-5-1-2-7(6)15-5/h4-7,15H,1-3H2
InChIKeyVKEKGUWDTIQKRK-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.77
Rot. Bonds1

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 90902428) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID90902428
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CC3CCC2N3)s1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)9-14-4-8(16-9)6-3-5-1-2-7(6)15-5/h4-7,15H,1-3H2
InChIKeyVKEKGUWDTIQKRK-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 90902428) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2CC3CCC2N3)s1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VKEKGUWDTIQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c11-10(12,13)9-14-4-8(16-9)6-3-5-1-2-7(6)15-5/h4-7,15H,1-3H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 248.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90902428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).