[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol

C7H8F3NO2S — CID 103476998

IUPAC[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1,12H,2-4H2
InChIKeyJHFIDDJIELJDGB-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.71
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 103476998) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID103476998
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1,12H,2-4H2
InChIKeyJHFIDDJIELJDGB-UHFFFAOYSA-N
XLogP1.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol (CID 103476998) is [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol is OCc1cnc(COCC(F)(F)F)s1.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is JHFIDDJIELJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2S/c8-7(9,10)4-13-3-6-11-1-5(2-12)14-6/h1,12H,2-4H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 227.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 103476998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).