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

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Related Compounds

1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-thiazole
CID 114908199
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
CID 62498917
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 63035079
methyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422554
N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 107333671
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63751601
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867894
3-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-1,2,4-triazole
CID 107333763

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).