[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol

C17H12F3NO2S — CID 11484925

IUPAC[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H12F3NO2S/c18-17(19,20)23-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-10-24-16(9-22)21-14/h1-8,10,22H,9H2
InChIKeyXHLNTWNTNKJBIG-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.87
Rot. Bonds4

About [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol

[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 11484925) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID11484925
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C17H12F3NO2S/c18-17(19,20)23-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-10-24-16(9-22)21-14/h1-8,10,22H,9H2
InChIKeyXHLNTWNTNKJBIG-UHFFFAOYSA-N
XLogP4.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol (CID 11484925) is [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol is OCc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1.
What is the InChIKey of [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is XHLNTWNTNKJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c18-17(19,20)23-15-7-2-1-6-13(15)11-4-3-5-12(8-11)14-10-24-16(9-22)21-14/h1-8,10,22H,9H2.
What are the key properties of [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol?
[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 351.35 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 11484925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).