2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol

C8H7BrN2OS2 — CID 105090603

IUPAC2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cnns1
InChIInChI=1S/C8H7BrN2OS2/c9-5-1-6(13-4-5)2-7(12)8-3-10-11-14-8/h1,3-4,7,12H,2H2
InChIKeyTZVMBLCZBGVCTO-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol

2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105090603) has the molecular formula C8H7BrN2OS2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105090603
Molecular FormulaC8H7BrN2OS2
Molecular Weight291.20 g/mol
Exact Mass289.92
IUPAC Name2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cnns1
InChIInChI=1S/C8H7BrN2OS2/c9-5-1-6(13-4-5)2-7(12)8-3-10-11-14-8/h1,3-4,7,12H,2H2
InChIKeyTZVMBLCZBGVCTO-UHFFFAOYSA-N
XLogP2.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090530
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62608024
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105087930
2-(4-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769420
2-(4-bromothiophen-2-yl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethanol
CID 83091781
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 65151161
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105121099
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol (CID 105090603) is 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol is OC(Cc1cc(Br)cs1)c1cnns1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is TZVMBLCZBGVCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS2/c9-5-1-6(13-4-5)2-7(12)8-3-10-11-14-8/h1,3-4,7,12H,2H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 291.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).