2-bromoimidazo[2,1-b][1,3,4]thiadiazole

C4H2BrN3S — CID 43667923

IUPAC2-bromoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1nn2ccnc2s1
InChIInChI=1S/C4H2BrN3S/c5-3-7-8-2-1-6-4(8)9-3/h1-2H
InChIKeyJFHCFWOCRFEOAG-UHFFFAOYSA-N
MW204.05 g/mol
LogP1.55
Rot. Bonds

About 2-bromoimidazo[2,1-b][1,3,4]thiadiazole

2-bromoimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 43667923) has the molecular formula C4H2BrN3S and a molecular weight of 204.05 g/mol. Its IUPAC name is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID43667923
Molecular FormulaC4H2BrN3S
Molecular Weight204.05 g/mol
Exact Mass202.92
IUPAC Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1nn2ccnc2s1
InChIInChI=1S/C4H2BrN3S/c5-3-7-8-2-1-6-4(8)9-3/h1-2H
InChIKeyJFHCFWOCRFEOAG-UHFFFAOYSA-N
XLogP1.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole (CID 43667923) is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole is Brc1nn2ccnc2s1.
What is the InChIKey of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JFHCFWOCRFEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrN3S/c5-3-7-8-2-1-6-4(8)9-3/h1-2H.
What are the key properties of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole?
2-bromoimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 204.05 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 43667923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).