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

C9H12BrN3S — CID 43159326

IUPAC2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nc2sc(Br)nn2c1CC
InChIInChI=1S/C9H12BrN3S/c1-3-5-6-7(4-2)13-9(11-6)14-8(10)12-13/h3-5H2,1-2H3
InChIKeyCVFSOUPRDSKBHN-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.07
Rot. Bonds3

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

2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43159326) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43159326
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1nc2sc(Br)nn2c1CC
InChIInChI=1S/C9H12BrN3S/c1-3-5-6-7(4-2)13-9(11-6)14-8(10)12-13/h3-5H2,1-2H3
InChIKeyCVFSOUPRDSKBHN-UHFFFAOYSA-N
XLogP3.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole (CID 43159326) is 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole is CCCc1nc2sc(Br)nn2c1CC.
What is the InChIKey of 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CVFSOUPRDSKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-3-5-6-7(4-2)13-9(11-6)14-8(10)12-13/h3-5H2,1-2H3.
What are the key properties of 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 274.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43159326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).