5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole

C5H4F3NO2S2 — CID 21394715

IUPAC5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NO2S2/c1-13(10,11)3-2-9-4(12-3)5(6,7)8/h2H,1H3
InChIKeyGJOUGUAHVJGGHA-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.57
Rot. Bonds1

About 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole

5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 21394715) has the molecular formula C5H4F3NO2S2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID21394715
Molecular FormulaC5H4F3NO2S2
Molecular Weight231.22 g/mol
Exact Mass230.96
IUPAC Name5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NO2S2/c1-13(10,11)3-2-9-4(12-3)5(6,7)8/h2H,1H3
InChIKeyGJOUGUAHVJGGHA-UHFFFAOYSA-N
XLogP1.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole (CID 21394715) is 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole is CS(=O)(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GJOUGUAHVJGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2S2/c1-13(10,11)3-2-9-4(12-3)5(6,7)8/h2H,1H3.
What are the key properties of 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole?
5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 231.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 21394715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).