5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole

C8H10F3NS — CID 168743241

IUPAC5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCC(C)(C)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3NS/c1-7(2,3)6-4-5(12-13-6)8(9,10)11/h4H,1-3H3
InChIKeyZZUMQXWDMJCYLG-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.46
Rot. Bonds

About 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole

5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 168743241) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole
PubChem CID168743241
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCC(C)(C)c1cc(C(F)(F)F)ns1
InChIInChI=1S/C8H10F3NS/c1-7(2,3)6-4-5(12-13-6)8(9,10)11/h4H,1-3H3
InChIKeyZZUMQXWDMJCYLG-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole (CID 168743241) is 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole is CC(C)(C)c1cc(C(F)(F)F)ns1.
What is the InChIKey of 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is ZZUMQXWDMJCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-7(2,3)6-4-5(12-13-6)8(9,10)11/h4H,1-3H3.
What are the key properties of 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole?
5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 209.24 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 168743241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).