3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide

C11H8F3NO2S — CID 70333860

IUPAC3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1
InChIInChI=1S/C11H8F3NO2S/c1-7-5-10(18(16,17)15-7)8-3-2-4-9(6-8)11(12,13)14/h2-6H,1H3
InChIKeyNVVTYAULIRUMFS-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.85
Rot. Bonds1

About 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide

3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide (PubChem CID 70333860) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
PubChem CID70333860
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC Name3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
SMILESCC1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1
InChIInChI=1S/C11H8F3NO2S/c1-7-5-10(18(16,17)15-7)8-3-2-4-9(6-8)11(12,13)14/h2-6H,1H3
InChIKeyNVVTYAULIRUMFS-UHFFFAOYSA-N
XLogP2.85
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide (CID 70333860) is 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide is CC1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1.
What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
The InChIKey is NVVTYAULIRUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c1-7-5-10(18(16,17)15-7)8-3-2-4-9(6-8)11(12,13)14/h2-6H,1H3.
What are the key properties of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide?
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide has a molecular weight of 275.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 70333860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).