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

C13H15BrN2O2S — CID 23724178

IUPAC3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.COc1ccc(C2=CSC3=NCCN23)cc1OC
InChIInChI=1S/C13H14N2O2S.BrH/c1-16-11-4-3-9(7-12(11)17-2)10-8-18-13-14-5-6-15(10)13;/h3-4,7-8H,5-6H2,1-2H3;1H
InChIKeyFGULYVGVNJBKRH-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.00
Rot. Bonds3

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

3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 23724178) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID23724178
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.COc1ccc(C2=CSC3=NCCN23)cc1OC
InChIInChI=1S/C13H14N2O2S.BrH/c1-16-11-4-3-9(7-12(11)17-2)10-8-18-13-14-5-6-15(10)13;/h3-4,7-8H,5-6H2,1-2H3;1H
InChIKeyFGULYVGVNJBKRH-UHFFFAOYSA-N
XLogP3.00
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 23724178) is 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.COc1ccc(C2=CSC3=NCCN23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is FGULYVGVNJBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S.BrH/c1-16-11-4-3-9(7-12(11)17-2)10-8-18-13-14-5-6-15(10)13;/h3-4,7-8H,5-6H2,1-2H3;1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 343.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 23724178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).