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

C12H9BrF3NOS — CID 62689326

IUPAC1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)s1
InChIInChI=1S/C12H9BrF3NOS/c1-6(18)10-5-17-11(19-10)8-3-2-7(13)4-9(8)12(14,15)16/h2-6,18H,1H3
InChIKeyQLAFAPLNNICVCA-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.64
Rot. Bonds2

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

1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 62689326) has the molecular formula C12H9BrF3NOS and a molecular weight of 352.18 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
PubChem CID62689326
Molecular FormulaC12H9BrF3NOS
Molecular Weight352.18 g/mol
Exact Mass350.95
IUPAC Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)s1
InChIInChI=1S/C12H9BrF3NOS/c1-6(18)10-5-17-11(19-10)8-3-2-7(13)4-9(8)12(14,15)16/h2-6,18H,1H3
InChIKeyQLAFAPLNNICVCA-UHFFFAOYSA-N
XLogP4.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-bromo-2-(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-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (CID 62689326) is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(-c2ccc(Br)cc2C(F)(F)F)s1.
What is the InChIKey of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is QLAFAPLNNICVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NOS/c1-6(18)10-5-17-11(19-10)8-3-2-7(13)4-9(8)12(14,15)16/h2-6,18H,1H3.
What are the key properties of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 352.18 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62689326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).