3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

C13H15BrN2S — CID 20994488

IUPAC3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CCc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C13H14N2S.BrH/c1-2-10-3-5-11(6-4-10)12-9-16-13-14-7-8-15(12)13;/h3-6,9H,2,7-8H2,1H3;1H
InChIKeyVFZUMAFVWCSJQJ-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.54
Rot. Bonds2

About 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide

3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 20994488) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID20994488
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.CCc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C13H14N2S.BrH/c1-2-10-3-5-11(6-4-10)12-9-16-13-14-7-8-15(12)13;/h3-6,9H,2,7-8H2,1H3;1H
InChIKeyVFZUMAFVWCSJQJ-UHFFFAOYSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 20994488) is 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.CCc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is VFZUMAFVWCSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.BrH/c1-2-10-3-5-11(6-4-10)12-9-16-13-14-7-8-15(12)13;/h3-6,9H,2,7-8H2,1H3;1H.
What are the key properties of 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 311.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 20994488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).