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

C11H8F3NOS — CID 66939465

IUPAC[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-2-7(4-8)9-5-15-10(6-16)17-9/h1-5,16H,6H2
InChIKeyVTWUDOXENAUREO-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.32
Rot. Bonds2

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

[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 66939465) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID66939465
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-2-7(4-8)9-5-15-10(6-16)17-9/h1-5,16H,6H2
InChIKeyVTWUDOXENAUREO-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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Related Compounds

N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 154462205
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 116812397
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
CID 89139091
CID 89139091
5-[3-(trifluoromethyl)phenyl]thiadiazole
CID 57163700
[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 115093775
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809

Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol (CID 66939465) is [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is OCc1ncc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is VTWUDOXENAUREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)8-3-1-2-7(4-8)9-5-15-10(6-16)17-9/h1-5,16H,6H2.
What are the key properties of [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol?
[5-[3-(trifluoromethyl)phenyl]-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 [5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 66939465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).