2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile

C11H5F3N2OS — CID 175304132

IUPAC2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(-c2nccs2)c1O
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)7-3-6(5-15)9(17)8(4-7)10-16-1-2-18-10/h1-4,17H
InChIKeyVAMUQUXOLHTPLO-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.41
Rot. Bonds1

About 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile

2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile (PubChem CID 175304132) has the molecular formula C11H5F3N2OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile
PubChem CID175304132
Molecular FormulaC11H5F3N2OS
Molecular Weight270.24 g/mol
Exact Mass270.01
IUPAC Name2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(-c2nccs2)c1O
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)7-3-6(5-15)9(17)8(4-7)10-16-1-2-18-10/h1-4,17H
InChIKeyVAMUQUXOLHTPLO-UHFFFAOYSA-N
XLogP3.41
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile (CID 175304132) is 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)cc(-c2nccs2)c1O.
What is the InChIKey of 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile?
The InChIKey is VAMUQUXOLHTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2OS/c12-11(13,14)7-3-6(5-15)9(17)8(4-7)10-16-1-2-18-10/h1-4,17H.
What are the key properties of 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile?
2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 175304132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).