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

C12H10F3NOS — CID 22647613

IUPAC1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NOS/c1-7(17)10-6-16-11(18-10)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3
InChIKeyCIKPOFAGRJZITF-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.88
Rot. Bonds2

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

1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 22647613) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
PubChem CID22647613
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NOS/c1-7(17)10-6-16-11(18-10)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3
InChIKeyCIKPOFAGRJZITF-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

Analyze 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (CID 22647613) is 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is CIKPOFAGRJZITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7(17)10-6-16-11(18-10)8-2-4-9(5-3-8)12(13,14)15/h2-7,17H,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-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-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 22647613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).