2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol

C12H12BrFN2OS — CID 105087909

IUPAC2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(14)6-9(7)13/h3-4,6,11,17H,2,5H2,1H3
InChIKeyAONNCRXVWHFORV-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.28
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (PubChem CID 105087909) has the molecular formula C12H12BrFN2OS and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
PubChem CID105087909
Molecular FormulaC12H12BrFN2OS
Molecular Weight331.21 g/mol
Exact Mass329.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(14)6-9(7)13/h3-4,6,11,17H,2,5H2,1H3
InChIKeyAONNCRXVWHFORV-UHFFFAOYSA-N
XLogP3.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105131314
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105297089
2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105087930
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
[1-(4-ethylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340893
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
2-(4-chlorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105076672
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (CID 105087909) is 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is CCc1nnsc1C(O)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The InChIKey is AONNCRXVWHFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2OS/c1-2-10-12(18-16-15-10)11(17)5-7-3-4-8(14)6-9(7)13/h3-4,6,11,17H,2,5H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol has a molecular weight of 331.21 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105087909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).