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

C11H8F3NOS — CID 59212200

IUPAC[3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(C(F)(F)F)cc2)ns1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-5,16H,6H2
InChIKeyIQHSJIFNKIKFIV-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.32
Rot. Bonds2

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

[3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol (PubChem CID 59212200) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol
PubChem CID59212200
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name[3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(C(F)(F)F)cc2)ns1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-5,16H,6H2
InChIKeyIQHSJIFNKIKFIV-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 [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol (CID 59212200) is [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol is OCc1cc(-c2ccc(C(F)(F)F)cc2)ns1.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol?
The InChIKey is IQHSJIFNKIKFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(6-16)17-15-10/h1-5,16H,6H2.
What are the key properties of [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol?
[3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-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 [3-[4-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]methanol is sourced from PubChem (CID 59212200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).