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

C12H10F3NOS — CID 55183999

IUPAC1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3NOS/c1-7(17)11-16-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3
InChIKeyKYPIGNIPBVBAFL-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.88
Rot. Bonds2

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

1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 55183999) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID55183999
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3NOS/c1-7(17)11-16-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3
InChIKeyKYPIGNIPBVBAFL-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
(4-Phenyl-1,3-thiazol-2-yl)methanol
CID 698895
4-(Hydroxymethyl)-2-phenyl-1,3-thiazole
CID 2776473
{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl pivalate
CID 2726701
(4-Fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
CID 46943788
2-Phenyl-4-(4-(trifluoromethyl)phenyl)thiazole
CID 46911999
1-(2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl)ethan-1-one
CID 2744883
4-(4-Methylphenyl)-2-phenyl-1,3-thiazole
CID 715103
(4-(4-Methylphenyl)-1,3-thiazol-2-YL)acetonitrile
CID 2742455
4-(4-Fluorophenyl)-2-methylthiazole
CID 731894
2-(4-Tert-butylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742341

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol (CID 55183999) is 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is CC(O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is KYPIGNIPBVBAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7(17)11-16-10(6-18-11)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol?
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 273.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 55183999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).