4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C8H10F3NO2S — CID 66056532

IUPAC4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-13-7(14-2)5-4-15-6(12-5)3-8(9,10)11/h4,7H,3H2,1-2H3
InChIKeyVZOIJTFRGDJNAT-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.54
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 66056532) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID66056532
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3NO2S/c1-13-7(14-2)5-4-15-6(12-5)3-8(9,10)11/h4,7H,3H2,1-2H3
InChIKeyVZOIJTFRGDJNAT-UHFFFAOYSA-N
XLogP2.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 66056532) is 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is COC(OC)c1csc(CC(F)(F)F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is VZOIJTFRGDJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-13-7(14-2)5-4-15-6(12-5)3-8(9,10)11/h4,7H,3H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 241.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 66056532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).