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

C8H7BrN2OS2 — CID 105087289

IUPAC2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1csnn1
InChIInChI=1S/C8H7BrN2OS2/c9-8-2-1-5(14-8)3-7(12)6-4-13-11-10-6/h1-2,4,7,12H,3H2
InChIKeyBHTIKIBADBMNCI-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.64
Rot. Bonds3

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

2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 105087289) has the molecular formula C8H7BrN2OS2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
PubChem CID105087289
Molecular FormulaC8H7BrN2OS2
Molecular Weight291.20 g/mol
Exact Mass289.92
IUPAC Name2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1csnn1
InChIInChI=1S/C8H7BrN2OS2/c9-8-2-1-5(14-8)3-7(12)6-4-13-11-10-6/h1-2,4,7,12H,3H2
InChIKeyBHTIKIBADBMNCI-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

1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(Thiadiazol-4-yl)-2-thiophen-2-ylethanol
CID 105087160
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163
1-(4-Propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087181
2-(5-Bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105087230
2-(5-Bromothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105087291
2-(5-Bromothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087293
2-(5-Bromothiophen-2-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105087316
2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087424
2-(5-Ethylthiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105087683
2-(4-Bromothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105090540
2-(4-Bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105090581

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol (CID 105087289) is 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol is OC(Cc1ccc(Br)s1)c1csnn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is BHTIKIBADBMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS2/c9-8-2-1-5(14-8)3-7(12)6-4-13-11-10-6/h1-2,4,7,12H,3H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-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-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 105087289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).