1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol

C10H9BrN2OS2 — CID 82973686

IUPAC1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1ncns1
InChIInChI=1S/C10H9BrN2OS2/c1-6(14)8-4-7(11)2-3-9(8)15-10-12-5-13-16-10/h2-6,14H,1H3
InChIKeyOFYPRWZCXQDKGE-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.51
Rot. Bonds3

About 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol

1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol (PubChem CID 82973686) has the molecular formula C10H9BrN2OS2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol
PubChem CID82973686
Molecular FormulaC10H9BrN2OS2
Molecular Weight317.23 g/mol
Exact Mass315.93
IUPAC Name1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Sc1ncns1
InChIInChI=1S/C10H9BrN2OS2/c1-6(14)8-4-7(11)2-3-9(8)15-10-12-5-13-16-10/h2-6,14H,1H3
InChIKeyOFYPRWZCXQDKGE-UHFFFAOYSA-N
XLogP3.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-1-hydroxyethyl]-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzonitrile
CID 113373000
1-[5-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82973884
1-[5-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82972733
4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
CID 114905233
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
N-[[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114062080
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanol
CID 82973772
1-[5-bromo-2-(2-methylfuran-3-yl)sulfanylphenyl]ethanol
CID 107783479
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
3-[4-bromo-2-(1-hydroxyethyl)phenyl]sulfanylpropane-1,2-diol
CID 82974086
1-[5-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethanol
CID 82973304

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol (CID 82973686) is 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol is CC(O)c1cc(Br)ccc1Sc1ncns1.
What is the InChIKey of 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol?
The InChIKey is OFYPRWZCXQDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS2/c1-6(14)8-4-7(11)2-3-9(8)15-10-12-5-13-16-10/h2-6,14H,1H3.
What are the key properties of 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol?
1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol has a molecular weight of 317.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 82973686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).