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

C12H10F3NOS — CID 79824982

IUPAC2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1nccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-2-8(6-9)10(17)7-11-16-4-5-18-11/h1-6,10,17H,7H2
InChIKeyQRYIPYIRGDDXHE-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.44
Rot. Bonds3

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

2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 79824982) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID79824982
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1nccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-2-8(6-9)10(17)7-11-16-4-5-18-11/h1-6,10,17H,7H2
InChIKeyQRYIPYIRGDDXHE-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
1-(3,5-difluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823901
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 79824982) is 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(Cc1nccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QRYIPYIRGDDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c13-12(14,15)9-3-1-2-8(6-9)10(17)7-11-16-4-5-18-11/h1-6,10,17H,7H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 273.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 79824982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).