4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride

C9H10ClF3N2S — CID 162339887

IUPAC4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1nc(C23CNCC2C3)cs1
InChIInChI=1S/C9H9F3N2S.ClH/c10-9(11,12)7-14-6(3-15-7)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H
InChIKeyDECJAILXQFFDGH-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.44
Rot. Bonds1

About 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride

4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 162339887) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID162339887
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1nc(C23CNCC2C3)cs1
InChIInChI=1S/C9H9F3N2S.ClH/c10-9(11,12)7-14-6(3-15-7)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H
InChIKeyDECJAILXQFFDGH-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 162339887) is 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1nc(C23CNCC2C3)cs1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is DECJAILXQFFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2S.ClH/c10-9(11,12)7-14-6(3-15-7)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H.
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride?
4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 270.71 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-1-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 162339887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).