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

C12H13BrN2S — CID 2859475

IUPAC3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C12H12N2S.BrH/c1-9-2-4-10(5-3-9)11-8-15-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H
InChIKeyFWEMSGFRJOTYBU-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.29
Rot. Bonds1

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

3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 2859475) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID2859475
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C12H12N2S.BrH/c1-9-2-4-10(5-3-9)11-8-15-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H
InChIKeyFWEMSGFRJOTYBU-UHFFFAOYSA-N
XLogP3.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 2859475) is 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.Cc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is FWEMSGFRJOTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S.BrH/c1-9-2-4-10(5-3-9)11-8-15-12-13-6-7-14(11)12;/h2-5,8H,6-7H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 297.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 2859475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).