2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole

C5H2BrIN2S — CID 78358047

IUPAC2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole
SMILESBrc1cn2c(I)cnc2s1
InChIInChI=1S/C5H2BrIN2S/c6-3-2-9-4(7)1-8-5(9)10-3/h1-2H
InChIKeyIBRNMHJSSNBFEZ-UHFFFAOYSA-N
MW328.96 g/mol
LogP2.76
Rot. Bonds

About 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole

2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole (PubChem CID 78358047) has the molecular formula C5H2BrIN2S and a molecular weight of 328.96 g/mol. Its IUPAC name is 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole
PubChem CID78358047
Molecular FormulaC5H2BrIN2S
Molecular Weight328.96 g/mol
Exact Mass327.82
IUPAC Name2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole
SMILESBrc1cn2c(I)cnc2s1
InChIInChI=1S/C5H2BrIN2S/c6-3-2-9-4(7)1-8-5(9)10-3/h1-2H
InChIKeyIBRNMHJSSNBFEZ-UHFFFAOYSA-N
XLogP2.76
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.96
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5-iodoimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole (CID 78358047) is 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole is Brc1cn2c(I)cnc2s1.
What is the InChIKey of 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole?
The InChIKey is IBRNMHJSSNBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrIN2S/c6-3-2-9-4(7)1-8-5(9)10-3/h1-2H.
What are the key properties of 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole?
2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole has a molecular weight of 328.96 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodoimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 78358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).