azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C8H7F3N2OS — CID 106784725

IUPACazetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CNC1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)7-13-3-5(15-7)6(14)4-1-12-2-4/h3-4,12H,1-2H2
InChIKeyZOTCQNZHUXYRJS-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.56
Rot. Bonds2

About azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784725) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784725
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Nameazetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CNC1
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)7-13-3-5(15-7)6(14)4-1-12-2-4/h3-4,12H,1-2H2
InChIKeyZOTCQNZHUXYRJS-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784725) is azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CNC1.
What is the InChIKey of azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ZOTCQNZHUXYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)7-13-3-5(15-7)6(14)4-1-12-2-4/h3-4,12H,1-2H2.
What are the key properties of azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 236.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).