4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide

C11H8F3NO3S — CID 117189039

IUPAC4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide
SMILESCC1=CS(=O)(=O)C(Oc2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C11H8F3NO3S/c1-7-6-19(16,17)10(15-7)18-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3
InChIKeyRFCCZCKUPYELKY-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.73
Rot. Bonds1

About 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide

4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide (PubChem CID 117189039) has the molecular formula C11H8F3NO3S and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide
PubChem CID117189039
Molecular FormulaC11H8F3NO3S
Molecular Weight291.25 g/mol
Exact Mass291.02
IUPAC Name4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide
SMILESCC1=CS(=O)(=O)C(Oc2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C11H8F3NO3S/c1-7-6-19(16,17)10(15-7)18-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3
InChIKeyRFCCZCKUPYELKY-UHFFFAOYSA-N
XLogP2.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862420
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539
tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
CID 87300130
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114766779
2-ethyl-5-methyl-6-[2-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988712
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
trimethyl [2-(trifluoromethyl)phenyl] silicate
CID 174929764
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide?
The IUPAC name of 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide (CID 117189039) is 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide is CC1=CS(=O)(=O)C(Oc2ccccc2C(F)(F)F)=N1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide?
The InChIKey is RFCCZCKUPYELKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3S/c1-7-6-19(16,17)10(15-7)18-9-5-3-2-4-8(9)11(12,13)14/h2-6H,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide?
4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide has a molecular weight of 291.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117189039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).