3-(trifluoromethyl)-1,2-thiazole

C4H2F3NS — CID 23373616

IUPAC3-(trifluoromethyl)-1,2-thiazole
SMILESFC(F)(F)c1ccsn1
InChIInChI=1S/C4H2F3NS/c5-4(6,7)3-1-2-9-8-3/h1-2H
InChIKeyUGURBYBFXYPASJ-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.16
Rot. Bonds

About 3-(trifluoromethyl)-1,2-thiazole

3-(trifluoromethyl)-1,2-thiazole (PubChem CID 23373616) has the molecular formula C4H2F3NS and a molecular weight of 153.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-thiazole
PubChem CID23373616
Molecular FormulaC4H2F3NS
Molecular Weight153.13 g/mol
Exact Mass152.99
IUPAC Name3-(trifluoromethyl)-1,2-thiazole
SMILESFC(F)(F)c1ccsn1
InChIInChI=1S/C4H2F3NS/c5-4(6,7)3-1-2-9-8-3/h1-2H
InChIKeyUGURBYBFXYPASJ-UHFFFAOYSA-N
XLogP2.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-(trifluoromethyl)-1,2-thiazole (CID 23373616) is 3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-(trifluoromethyl)-1,2-thiazole is FC(F)(F)c1ccsn1.
What is the InChIKey of 3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is UGURBYBFXYPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NS/c5-4(6,7)3-1-2-9-8-3/h1-2H.
What are the key properties of 3-(trifluoromethyl)-1,2-thiazole?
3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 153.13 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 23373616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).