2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol

C8H7BrN2OS2 — CID 105090888

IUPAC2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1sccc1Br)c1cnsn1
InChIInChI=1S/C8H7BrN2OS2/c9-5-1-2-13-8(5)3-7(12)6-4-10-14-11-6/h1-2,4,7,12H,3H2
InChIKeyGSJWDYVAYSYVDC-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.64
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 105090888) has the molecular formula C8H7BrN2OS2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID105090888
Molecular FormulaC8H7BrN2OS2
Molecular Weight291.19 g/mol
Exact Mass289.92
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1sccc1Br)c1cnsn1
InChIInChI=1S/C8H7BrN2OS2/c9-5-1-2-13-8(5)3-7(12)6-4-10-14-11-6/h1-2,4,7,12H,3H2
InChIKeyGSJWDYVAYSYVDC-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 ≤ 500291.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(2-bromothiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 130765799
2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373642
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
2-(4-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090530
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162836
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
1-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105172947

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol (CID 105090888) is 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1sccc1Br)c1cnsn1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is GSJWDYVAYSYVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS2/c9-5-1-2-13-8(5)3-7(12)6-4-10-14-11-6/h1-2,4,7,12H,3H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 291.19 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-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 105090888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).