3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C13H15BrN2S — CID 6602926

IUPAC3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(C)c(C2=CSC3=NCCN23)c1
InChIInChI=1S/C13H14N2S.BrH/c1-9-3-4-10(2)11(7-9)12-8-16-13-14-5-6-15(12)13;/h3-4,7-8H,5-6H2,1-2H3;1H
InChIKeyKQVOIHSXOQFPDN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.60
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 6602926) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID6602926
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(C)c(C2=CSC3=NCCN23)c1
InChIInChI=1S/C13H14N2S.BrH/c1-9-3-4-10(2)11(7-9)12-8-16-13-14-5-6-15(12)13;/h3-4,7-8H,5-6H2,1-2H3;1H
InChIKeyKQVOIHSXOQFPDN-UHFFFAOYSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 6602926) is 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.Cc1ccc(C)c(C2=CSC3=NCCN23)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is KQVOIHSXOQFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.BrH/c1-9-3-4-10(2)11(7-9)12-8-16-13-14-5-6-15(12)13;/h3-4,7-8H,5-6H2,1-2H3;1H.
What are the key properties of 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 311.25 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 6602926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).