2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C8H6BrN5S — CID 131162388

IUPAC2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1ccnc1-c1cn2nc(Br)sc2n1
InChIInChI=1S/C8H6BrN5S/c1-13-3-2-10-6(13)5-4-14-8(11-5)15-7(9)12-14/h2-4H,1H3
InChIKeyANVSJLAUGPVLFF-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.95
Rot. Bonds1

About 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 131162388) has the molecular formula C8H6BrN5S and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID131162388
Molecular FormulaC8H6BrN5S
Molecular Weight284.14 g/mol
Exact Mass282.95
IUPAC Name2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1ccnc1-c1cn2nc(Br)sc2n1
InChIInChI=1S/C8H6BrN5S/c1-13-3-2-10-6(13)5-4-14-8(11-5)15-7(9)12-14/h2-4H,1H3
InChIKeyANVSJLAUGPVLFF-UHFFFAOYSA-N
XLogP1.95
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 131162388) is 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cn1ccnc1-c1cn2nc(Br)sc2n1.
What is the InChIKey of 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ANVSJLAUGPVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5S/c1-13-3-2-10-6(13)5-4-14-8(11-5)15-7(9)12-14/h2-4H,1H3.
What are the key properties of 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 284.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 131162388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).