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

C7H7BrN4S — CID 164655719

IUPAC2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
SMILESCCc1cnn(-c2nnc(Br)s2)c1
InChIInChI=1S/C7H7BrN4S/c1-2-5-3-9-12(4-5)7-11-10-6(8)13-7/h3-4H,2H2,1H3
InChIKeyUPYPRFBKDZSVJL-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.05
Rot. Bonds2

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

2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole (PubChem CID 164655719) has the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
PubChem CID164655719
Molecular FormulaC7H7BrN4S
Molecular Weight259.13 g/mol
Exact Mass257.96
IUPAC Name2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
SMILESCCc1cnn(-c2nnc(Br)s2)c1
InChIInChI=1S/C7H7BrN4S/c1-2-5-3-9-12(4-5)7-11-10-6(8)13-7/h3-4H,2H2,1H3
InChIKeyUPYPRFBKDZSVJL-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
2-(4-bromopyrazol-1-yl)-5-methyl-1,3,4-thiadiazole
CID 65208447
2-(4-ethylpyrazol-1-yl)aniline
CID 84770437
2,4-dichloro-6-(4-ethylpyrazol-1-yl)-1,3,5-triazine
CID 164655760
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-(chloromethyl)-5-(4-methylpyrazol-1-yl)-1,3,4-thiadiazole
CID 80618712
5-(4-ethylpyrazol-1-yl)pyridin-2-amine
CID 58399291
4-ethylpyrazole-1-carboxylic acid
CID 21320246
1,4-diethylpyrazole;ethane
CID 143641951
2-(4-ethylpyrazol-1-yl)pyridin-3-amine
CID 84770779
[5-(4-methoxypyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methanol
CID 130511340

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole (CID 164655719) is 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole is CCc1cnn(-c2nnc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole?
The InChIKey is UPYPRFBKDZSVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S/c1-2-5-3-9-12(4-5)7-11-10-6(8)13-7/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole has a molecular weight of 259.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 164655719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).