2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

C7H8F3NO2S — CID 129253745

IUPAC2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(C(F)(F)F)nc1CO
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h12-13H,1-3H2
InChIKeyFIFRFNLUKSLDCQ-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.19
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 129253745) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID129253745
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Name2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(C(F)(F)F)nc1CO
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h12-13H,1-3H2
InChIKeyFIFRFNLUKSLDCQ-UHFFFAOYSA-N
XLogP1.19
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 129253745) is 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is OCCc1sc(C(F)(F)F)nc1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is FIFRFNLUKSLDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h12-13H,1-3H2.
What are the key properties of 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 227.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 129253745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).