2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole

C8H10F3NOS — CID 166728023

IUPAC2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)OCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-5(2)13-3-7-12-6(4-14-7)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYNEHGNOCHWWGGP-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.09
Rot. Bonds3

About 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole

2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166728023) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166728023
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)OCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-5(2)13-3-7-12-6(4-14-7)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYNEHGNOCHWWGGP-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 166728023) is 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole is CC(C)OCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YNEHGNOCHWWGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(2)13-3-7-12-6(4-14-7)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166728023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).