2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

C7H8BrN3S — CID 43159279

IUPAC2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nc2sc(Br)nn2c1C
InChIInChI=1S/C7H8BrN3S/c1-3-5-4(2)11-7(9-5)12-6(8)10-11/h3H2,1-2H3
InChIKeyRVRJXZFRYLOZNX-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.42
Rot. Bonds1

About 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole

2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43159279) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43159279
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nc2sc(Br)nn2c1C
InChIInChI=1S/C7H8BrN3S/c1-3-5-4(2)11-7(9-5)12-6(8)10-11/h3H2,1-2H3
InChIKeyRVRJXZFRYLOZNX-UHFFFAOYSA-N
XLogP2.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 43159279) is 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nc2sc(Br)nn2c1C.
What is the InChIKey of 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is RVRJXZFRYLOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3S/c1-3-5-4(2)11-7(9-5)12-6(8)10-11/h3H2,1-2H3.
What are the key properties of 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 246.13 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43159279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).