2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole

C11H8F3NO2S3 — CID 75384950

IUPAC2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1Sc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H8F3NO2S3/c1-20(16,17)8-5-3-2-4-7(8)19-10-15-9(6-18-10)11(12,13)14/h2-6H,1H3
InChIKeyFZIRGLVXHAAZAA-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole

2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 75384950) has the molecular formula C11H8F3NO2S3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID75384950
Molecular FormulaC11H8F3NO2S3
Molecular Weight339.39 g/mol
Exact Mass338.97
IUPAC Name2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1Sc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H8F3NO2S3/c1-20(16,17)8-5-3-2-4-7(8)19-10-15-9(6-18-10)11(12,13)14/h2-6H,1H3
InChIKeyFZIRGLVXHAAZAA-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole (CID 75384950) is 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1Sc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FZIRGLVXHAAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S3/c1-20(16,17)8-5-3-2-4-7(8)19-10-15-9(6-18-10)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole?
2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 339.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 75384950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).