6-bromo-2-methylimidazo[2,1-b][1,3]thiazole

C6H5BrN2S — CID 154733368

IUPAC6-bromo-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(Br)nc2s1
InChIInChI=1S/C6H5BrN2S/c1-4-2-9-3-5(7)8-6(9)10-4/h2-3H,1H3
InChIKeyHWEMQETVCGTIGG-UHFFFAOYSA-N
MW217.09 g/mol
LogP2.47
Rot. Bonds

About 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole

6-bromo-2-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 154733368) has the molecular formula C6H5BrN2S and a molecular weight of 217.09 g/mol. Its IUPAC name is 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-bromo-2-methylimidazo[2,1-b][1,3]thiazole
PubChem CID154733368
Molecular FormulaC6H5BrN2S
Molecular Weight217.09 g/mol
Exact Mass215.94
IUPAC Name6-bromo-2-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2cc(Br)nc2s1
InChIInChI=1S/C6H5BrN2S/c1-4-2-9-3-5(7)8-6(9)10-4/h2-3H,1H3
InChIKeyHWEMQETVCGTIGG-UHFFFAOYSA-N
XLogP2.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole (CID 154733368) is 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole is Cc1cn2cc(Br)nc2s1.
What is the InChIKey of 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is HWEMQETVCGTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2S/c1-4-2-9-3-5(7)8-6(9)10-4/h2-3H,1H3.
What are the key properties of 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole?
6-bromo-2-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 217.09 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 154733368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).