3-(trifluoromethylsulfonyl)-2H-1,3-thiazole

C4H4F3NO2S2 — CID 137442368

IUPAC3-(trifluoromethylsulfonyl)-2H-1,3-thiazole
SMILESO=S(=O)(N1C=CSC1)C(F)(F)F
InChIInChI=1S/C4H4F3NO2S2/c5-4(6,7)12(9,10)8-1-2-11-3-8/h1-2H,3H2
InChIKeyJDWNULLBOXPBMK-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.31
Rot. Bonds1

About 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole

3-(trifluoromethylsulfonyl)-2H-1,3-thiazole (PubChem CID 137442368) has the molecular formula C4H4F3NO2S2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)-2H-1,3-thiazole
PubChem CID137442368
Molecular FormulaC4H4F3NO2S2
Molecular Weight219.21 g/mol
Exact Mass218.96
IUPAC Name3-(trifluoromethylsulfonyl)-2H-1,3-thiazole
SMILESO=S(=O)(N1C=CSC1)C(F)(F)F
InChIInChI=1S/C4H4F3NO2S2/c5-4(6,7)12(9,10)8-1-2-11-3-8/h1-2H,3H2
InChIKeyJDWNULLBOXPBMK-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole?
The IUPAC name of 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole (CID 137442368) is 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole is O=S(=O)(N1C=CSC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole?
The InChIKey is JDWNULLBOXPBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2S2/c5-4(6,7)12(9,10)8-1-2-11-3-8/h1-2H,3H2.
What are the key properties of 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole?
3-(trifluoromethylsulfonyl)-2H-1,3-thiazole has a molecular weight of 219.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)-2H-1,3-thiazole is sourced from PubChem (CID 137442368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).