2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol

C17H12F3NO2S — CID 146186096

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3O)cs2)cc1
InChIInChI=1S/C17H12F3NO2S/c1-23-12-5-2-10(3-6-12)16-21-14(9-24-16)13-7-4-11(8-15(13)22)17(18,19)20/h2-9,22H,1H3
InChIKeyZTBKGFSXFVPFBG-UHFFFAOYSA-N
MW351.35 g/mol
LogP5.21
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol (PubChem CID 146186096) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
PubChem CID146186096
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3O)cs2)cc1
InChIInChI=1S/C17H12F3NO2S/c1-23-12-5-2-10(3-6-12)16-21-14(9-24-16)13-7-4-11(8-15(13)22)17(18,19)20/h2-9,22H,1H3
InChIKeyZTBKGFSXFVPFBG-UHFFFAOYSA-N
XLogP5.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.35
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol (CID 146186096) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol is COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3O)cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol?
The InChIKey is ZTBKGFSXFVPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c1-23-12-5-2-10(3-6-12)16-21-14(9-24-16)13-7-4-11(8-15(13)22)17(18,19)20/h2-9,22H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol has a molecular weight of 351.35 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 146186096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).