2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol

C12H6F3NO2S — CID 19092776

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3nc(C(F)(F)F)cs3)cc2c1
InChIInChI=1S/C12H6F3NO2S/c13-12(14,15)10-5-19-11(16-10)9-4-6-3-7(17)1-2-8(6)18-9/h1-5,17H
InChIKeyAUYLWBDILMAZNW-UHFFFAOYSA-N
MW285.25 g/mol
LogP4.28
Rot. Bonds1

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol (PubChem CID 19092776) has the molecular formula C12H6F3NO2S and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
PubChem CID19092776
Molecular FormulaC12H6F3NO2S
Molecular Weight285.25 g/mol
Exact Mass285.01
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
SMILESOc1ccc2oc(-c3nc(C(F)(F)F)cs3)cc2c1
InChIInChI=1S/C12H6F3NO2S/c13-12(14,15)10-5-19-11(16-10)9-4-6-3-7(17)1-2-8(6)18-9/h1-5,17H
InChIKeyAUYLWBDILMAZNW-UHFFFAOYSA-N
XLogP4.28
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol (CID 19092776) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol is Oc1ccc2oc(-c3nc(C(F)(F)F)cs3)cc2c1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol?
The InChIKey is AUYLWBDILMAZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO2S/c13-12(14,15)10-5-19-11(16-10)9-4-6-3-7(17)1-2-8(6)18-9/h1-5,17H.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol has a molecular weight of 285.25 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol is sourced from PubChem (CID 19092776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).