2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol

C12H12BrFN2OS — CID 105082320

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

About 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (PubChem CID 105082320) has the molecular formula C12H12BrFN2OS and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
PubChem CID105082320
Molecular FormulaC12H12BrFN2OS
Molecular Weight331.21 g/mol
Exact Mass329.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
SMILESCCc1nnsc1C(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H12BrFN2OS/c1-2-10-12(18-16-15-10)11(17)6-7-3-4-9(14)8(13)5-7/h3-5,11,17H,2,6H2,1H3
InChIKeyRZCRLKTTXQHZSS-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

1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(4-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105076984
1-(4-Ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077031
1-(4-Tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077051
2-(4-Fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105077053
(4-Fluorophenyl)-(4-methylthiadiazol-5-yl)methanol
CID 105077228
(4-Fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105077262
(4-Ethylthiadiazol-5-yl)-(4-fluorophenyl)methanol
CID 105077264
(4-Fluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105077282
2-(2-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105077682
2-(2-Fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105077724

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol (CID 105082320) is 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is CCc1nnsc1C(O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
The InChIKey is RZCRLKTTXQHZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2OS/c1-2-10-12(18-16-15-10)11(17)6-7-3-4-9(14)8(13)5-7/h3-5,11,17H,2,6H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol?
2-(3-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-(3-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105082320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).