6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

C11H9BrClN3S — CID 2858406

IUPAC6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C11H8ClN3S.BrH/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8;/h2-6H,1H3;1H
InChIKeyLRWOYLWKGMQPEG-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.00
Rot. Bonds1

About 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide

6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (PubChem CID 2858406) has the molecular formula C11H9BrClN3S and a molecular weight of 330.64 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
PubChem CID2858406
Molecular FormulaC11H9BrClN3S
Molecular Weight330.64 g/mol
Exact Mass328.94
IUPAC Name6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
SMILESBr.Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C11H8ClN3S.BrH/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8;/h2-6H,1H3;1H
InChIKeyLRWOYLWKGMQPEG-UHFFFAOYSA-N
XLogP4.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The IUPAC name of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide (CID 2858406) is 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide.
What is the SMILES notation for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The canonical SMILES for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is Br.Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
The InChIKey is LRWOYLWKGMQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S.BrH/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8;/h2-6H,1H3;1H.
What are the key properties of 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide?
6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide has a molecular weight of 330.64 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide is sourced from PubChem (CID 2858406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).