5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole

C9H9F3N2S — CID 171093011

IUPAC5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C=CC2CNC2)s1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)2-1-6-3-13-4-6/h1-2,5-6,13H,3-4H2
InChIKeyHWFWPFWHUABXFS-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.39
Rot. Bonds2

About 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole

5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 171093011) has the molecular formula C9H9F3N2S and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID171093011
Molecular FormulaC9H9F3N2S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C=CC2CNC2)s1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)2-1-6-3-13-4-6/h1-2,5-6,13H,3-4H2
InChIKeyHWFWPFWHUABXFS-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole (CID 171093011) is 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C=CC2CNC2)s1.
What is the InChIKey of 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HWFWPFWHUABXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)2-1-6-3-13-4-6/h1-2,5-6,13H,3-4H2.
What are the key properties of 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 234.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171093011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).