[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C13H9F3N2O2S — CID 43476073

IUPAC[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(Oc2ccccc2C(F)(F)F)nc2sccn12
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)8-3-1-2-4-10(8)20-11-9(7-19)18-5-6-21-12(18)17-11/h1-6,19H,7H2
InChIKeyGGULRHJMMXUBSX-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.70
Rot. Bonds3

About [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 43476073) has the molecular formula C13H9F3N2O2S and a molecular weight of 314.29 g/mol. Its IUPAC name is [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID43476073
Molecular FormulaC13H9F3N2O2S
Molecular Weight314.29 g/mol
Exact Mass314.03
IUPAC Name[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(Oc2ccccc2C(F)(F)F)nc2sccn12
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)8-3-1-2-4-10(8)20-11-9(7-19)18-5-6-21-12(18)17-11/h1-6,19H,7H2
InChIKeyGGULRHJMMXUBSX-UHFFFAOYSA-N
XLogP3.70
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 43476073) is [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is OCc1c(Oc2ccccc2C(F)(F)F)nc2sccn12.
What is the InChIKey of [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is GGULRHJMMXUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2S/c14-13(15,16)8-3-1-2-4-10(8)20-11-9(7-19)18-5-6-21-12(18)17-11/h1-6,19H,7H2.
What are the key properties of [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 314.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(trifluoromethyl)phenoxy]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 43476073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).