3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole

C8H7BrN2OS — CID 102943280

IUPAC3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole
SMILESCCc1ccc(-c2nc(Br)ns2)o1
InChIInChI=1S/C8H7BrN2OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3
InChIKeyWZXBQZNTYFUPNH-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.12
Rot. Bonds2

About 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole

3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole (PubChem CID 102943280) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole
PubChem CID102943280
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole
SMILESCCc1ccc(-c2nc(Br)ns2)o1
InChIInChI=1S/C8H7BrN2OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3
InChIKeyWZXBQZNTYFUPNH-UHFFFAOYSA-N
XLogP3.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-ethylfuran-2-yl)-1,2,4-thiadiazol-3-amine
CID 79084485
[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79084311
[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 62347401
methyl 2-bromo-5-(5-ethylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106510294
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62346325
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 62345779
5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960
4,6-dichloro-2-(5-ethylfuran-2-yl)-5-iodopyrimidine
CID 66312807
3-(5-ethylfuran-2-yl)-1-methylpyrazol-5-amine
CID 79095617
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369795
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole (CID 102943280) is 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole is CCc1ccc(-c2nc(Br)ns2)o1.
What is the InChIKey of 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole?
The InChIKey is WZXBQZNTYFUPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c1-2-5-3-4-6(12-5)7-10-8(9)11-13-7/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole?
3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole has a molecular weight of 259.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).