2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole

C4HBrIN3S — CID 66221540

IUPAC2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1nn2c(I)cnc2s1
InChIInChI=1S/C4HBrIN3S/c5-3-8-9-2(6)1-7-4(9)10-3/h1H
InChIKeyMQVHKBWFJUMWBG-UHFFFAOYSA-N
MW329.95 g/mol
LogP2.16
Rot. Bonds

About 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole

2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 66221540) has the molecular formula C4HBrIN3S and a molecular weight of 329.95 g/mol. Its IUPAC name is 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID66221540
Molecular FormulaC4HBrIN3S
Molecular Weight329.95 g/mol
Exact Mass328.81
IUPAC Name2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole
SMILESBrc1nn2c(I)cnc2s1
InChIInChI=1S/C4HBrIN3S/c5-3-8-9-2(6)1-7-4(9)10-3/h1H
InChIKeyMQVHKBWFJUMWBG-UHFFFAOYSA-N
XLogP2.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.95
LogP ≤ 52.16
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-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole (CID 66221540) is 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole is Brc1nn2c(I)cnc2s1.
What is the InChIKey of 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MQVHKBWFJUMWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrIN3S/c5-3-8-9-2(6)1-7-4(9)10-3/h1H.
What are the key properties of 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 329.95 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodoimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 66221540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).