5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

C8H10F3NOS — CID 118190713

IUPAC5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESCC(C)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(14-6)13-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyHHILTKGSQKFQPZ-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.21
Rot. Bonds3

About 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 118190713) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID118190713
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESCC(C)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(14-6)13-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyHHILTKGSQKFQPZ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 118190713) is 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is CC(C)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is HHILTKGSQKFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(2)6-3-12-7(14-6)13-4-8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole?
5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 118190713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).