4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole

C8H10F3NS — CID 70961513

IUPAC4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(C)c1csc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3NS/c1-3-5(2)6-4-13-7(12-6)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyROSXPPYVAUEKET-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.68
Rot. Bonds2

About 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole

4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 70961513) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID70961513
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(C)c1csc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3NS/c1-3-5(2)6-4-13-7(12-6)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyROSXPPYVAUEKET-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 70961513) is 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole is CCC(C)c1csc(C(F)(F)F)n1.
What is the InChIKey of 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ROSXPPYVAUEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-3-5(2)6-4-13-7(12-6)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 209.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 70961513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).