5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

C8H10F3NOS — CID 103477038

IUPAC5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-2-6-3-12-7(14-6)4-13-5-8(9,10)11/h3H,2,4-5H2,1H3
InChIKeyLDHYSQVFJPAFEN-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.78
Rot. Bonds4

About 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 103477038) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID103477038
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-2-6-3-12-7(14-6)4-13-5-8(9,10)11/h3H,2,4-5H2,1H3
InChIKeyLDHYSQVFJPAFEN-UHFFFAOYSA-N
XLogP2.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 103477038) is 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is CCc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is LDHYSQVFJPAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-2-6-3-12-7(14-6)4-13-5-8(9,10)11/h3H,2,4-5H2,1H3.
What are the key properties of 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).