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

C11H8F3NOS — CID 67681040

IUPAC1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cncs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-4-2-1-3-7(8)10(16)9-5-15-6-17-9/h1-6,10,16H
InChIKeyYTFCEBFCQAEMAZ-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.24
Rot. Bonds2

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

1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 67681040) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol
PubChem CID67681040
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cncs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)8-4-2-1-3-7(8)10(16)9-5-15-6-17-9/h1-6,10,16H
InChIKeyYTFCEBFCQAEMAZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol (CID 67681040) is 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol is OC(c1cncs1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is YTFCEBFCQAEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)8-4-2-1-3-7(8)10(16)9-5-15-6-17-9/h1-6,10,16H.
What are the key properties of 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol?
1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 259.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67681040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).