3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole

C5H6F3NS — CID 174883467

IUPAC3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole
SMILESCN1C=CSC1C(F)(F)F
InChIInChI=1S/C5H6F3NS/c1-9-2-3-10-4(9)5(6,7)8/h2-4H,1H3
InChIKeyXFACZLSLWCKWMX-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole

3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole (PubChem CID 174883467) has the molecular formula C5H6F3NS and a molecular weight of 169.17 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole
PubChem CID174883467
Molecular FormulaC5H6F3NS
Molecular Weight169.17 g/mol
Exact Mass169.02
IUPAC Name3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole
SMILESCN1C=CSC1C(F)(F)F
InChIInChI=1S/C5H6F3NS/c1-9-2-3-10-4(9)5(6,7)8/h2-4H,1H3
InChIKeyXFACZLSLWCKWMX-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole (CID 174883467) is 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole is CN1C=CSC1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole?
The InChIKey is XFACZLSLWCKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NS/c1-9-2-3-10-4(9)5(6,7)8/h2-4H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole?
3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole has a molecular weight of 169.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-2H-1,3-thiazole is sourced from PubChem (CID 174883467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).