2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C13H14BrFN2OS — CID 105088383

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-5-9(15)3-4-10(8)14/h3-5,7,11,18H,6H2,1-2H3
InChIKeyZISPBGMIUMBBTI-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.84
Rot. Bonds4

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

2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105088383) has the molecular formula C13H14BrFN2OS and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105088383
Molecular FormulaC13H14BrFN2OS
Molecular Weight345.24 g/mol
Exact Mass344.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-5-9(15)3-4-10(8)14/h3-5,7,11,18H,6H2,1-2H3
InChIKeyZISPBGMIUMBBTI-UHFFFAOYSA-N
XLogP3.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086930
2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105377327
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105297089
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105087426
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105088383) is 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is ZISPBGMIUMBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2OS/c1-7(2)12-13(19-17-16-12)11(18)6-8-5-9(15)3-4-10(8)14/h3-5,7,11,18H,6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 345.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105088383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).