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

C10H8BrFN2OS — CID 105082333

IUPAC2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cnns1
InChIInChI=1S/C10H8BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5,9,15H,4H2
InChIKeyLXEKMBSOLQCOPA-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.72
Rot. Bonds3

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

2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105082333) has the molecular formula C10H8BrFN2OS and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105082333
Molecular FormulaC10H8BrFN2OS
Molecular Weight303.16 g/mol
Exact Mass301.95
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cnns1
InChIInChI=1S/C10H8BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5,9,15H,4H2
InChIKeyLXEKMBSOLQCOPA-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105077044
(4-Fluorophenyl)-(thiadiazol-5-yl)methanol
CID 105077279
2-(2-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105077740
(3-Fluorophenyl)-(thiadiazol-5-yl)methanol
CID 105078376
2-(3-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105079052
2-(2,5-Difluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105081114
2-(3-Bromo-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105082270
2-(3-Bromo-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105082318
2-(3-Bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105082320
2-(3-Bromo-4-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105082341
2-(2,4-Difluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105083482
(2-Fluorophenyl)-(thiadiazol-5-yl)methanol
CID 105083926

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol (CID 105082333) is 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol is OC(Cc1ccc(F)c(Br)c1)c1cnns1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is LXEKMBSOLQCOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5,9,15H,4H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 303.16 g/mol, XLogP of 2.72, 3 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-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105082333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).