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

C11H8F3NOS — CID 58020796

IUPAC[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2
InChIKeyOXQCUOYPMYAGCS-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.32
Rot. Bonds2

About [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 58020796) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID58020796
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2
InChIKeyOXQCUOYPMYAGCS-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 58020796) is [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is OXQCUOYPMYAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)10-9(15-8(6-16)17-10)7-4-2-1-3-5-7/h1-5,16H,6H2.
What are the key properties of [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
[4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 259.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 58020796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).