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

C13H8F3NO2S — CID 106782239

IUPAC1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1coc2ccccc12
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-6,11,18H
InChIKeyWRMGCIBACKJFHJ-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.99
Rot. Bonds2

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

1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782239) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782239
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1coc2ccccc12
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-6,11,18H
InChIKeyWRMGCIBACKJFHJ-UHFFFAOYSA-N
XLogP3.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782239) is 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is WRMGCIBACKJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-6,11,18H.
What are the key properties of 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 299.27 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).