1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone

C11H14F3N3OS — CID 164633629

IUPAC1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N[C@@H](C)c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H14F3N3OS/c1-6(15-8-3-17(4-8)7(2)18)10-16-9(5-19-10)11(12,13)14/h5-6,8,15H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyLBSVFZBSDVWQRH-LURJTMIESA-N
MW293.31 g/mol
LogP2.04
Rot. Bonds3

About 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone

1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone (PubChem CID 164633629) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone
PubChem CID164633629
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N[C@@H](C)c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H14F3N3OS/c1-6(15-8-3-17(4-8)7(2)18)10-16-9(5-19-10)11(12,13)14/h5-6,8,15H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyLBSVFZBSDVWQRH-LURJTMIESA-N
XLogP2.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone (CID 164633629) is 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone is CC(=O)N1CC(N[C@@H](C)c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone?
The InChIKey is LBSVFZBSDVWQRH-LURJTMIESA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-6(15-8-3-17(4-8)7(2)18)10-16-9(5-19-10)11(12,13)14/h5-6,8,15H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone?
1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone has a molecular weight of 293.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 164633629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).