4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

C8H10F3NO2S — CID 107511907

IUPAC4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCOCc1csc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-13-2-6-4-15-7(12-6)3-14-5-8(9,10)11/h4H,2-3,5H2,1H3
InChIKeyKRQZWSBJHGIDMV-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.37
Rot. Bonds5

About 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole

4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 107511907) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID107511907
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCOCc1csc(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-13-2-6-4-15-7(12-6)3-14-5-8(9,10)11/h4H,2-3,5H2,1H3
InChIKeyKRQZWSBJHGIDMV-UHFFFAOYSA-N
XLogP2.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 107511907) is 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is COCc1csc(COCC(F)(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is KRQZWSBJHGIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-13-2-6-4-15-7(12-6)3-14-5-8(9,10)11/h4H,2-3,5H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 241.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).