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

C5H3BrIN3S — CID 66690731

IUPAC2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(I)nc2sc(Br)nn12
InChIInChI=1S/C5H3BrIN3S/c1-2-3(7)8-5-10(2)9-4(6)11-5/h1H3
InChIKeyWNNLYVWTFFRXLF-UHFFFAOYSA-N
MW343.98 g/mol
LogP2.47
Rot. Bonds

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

2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 66690731) has the molecular formula C5H3BrIN3S and a molecular weight of 343.98 g/mol. Its IUPAC name is 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID66690731
Molecular FormulaC5H3BrIN3S
Molecular Weight343.98 g/mol
Exact Mass342.83
IUPAC Name2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(I)nc2sc(Br)nn12
InChIInChI=1S/C5H3BrIN3S/c1-2-3(7)8-5-10(2)9-4(6)11-5/h1H3
InChIKeyWNNLYVWTFFRXLF-UHFFFAOYSA-N
XLogP2.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 66690731) is 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1c(I)nc2sc(Br)nn12.
What is the InChIKey of 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WNNLYVWTFFRXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrIN3S/c1-2-3(7)8-5-10(2)9-4(6)11-5/h1H3.
What are the key properties of 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 343.98 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-5-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 66690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).