2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole

C12H15F3N2S — CID 123454066

IUPAC2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CC[C@@H]2C[C@H]3C[C@H]3CN2)n1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)10-6-18-11(17-10)2-1-9-4-7-3-8(7)5-16-9/h6-9,16H,1-5H2/t7-,8+,9-/m1/s1
InChIKeyGHQYYTSQEAQGQG-HRDYMLBCSA-N
MW276.33 g/mol
LogP3.09
Rot. Bonds3

About 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole

2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 123454066) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID123454066
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CC[C@@H]2C[C@H]3C[C@H]3CN2)n1
InChIInChI=1S/C12H15F3N2S/c13-12(14,15)10-6-18-11(17-10)2-1-9-4-7-3-8(7)5-16-9/h6-9,16H,1-5H2/t7-,8+,9-/m1/s1
InChIKeyGHQYYTSQEAQGQG-HRDYMLBCSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 123454066) is 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CC[C@@H]2C[C@H]3C[C@H]3CN2)n1.
What is the InChIKey of 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GHQYYTSQEAQGQG-HRDYMLBCSA-N. The full InChI is InChI=1S/C12H15F3N2S/c13-12(14,15)10-6-18-11(17-10)2-1-9-4-7-3-8(7)5-16-9/h6-9,16H,1-5H2/t7-,8+,9-/m1/s1.
What are the key properties of 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 276.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,4R,6R)-3-azabicyclo[4.1.0]heptan-4-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 123454066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).