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

C13H11BrN2S2 — CID 22474170

IUPAC3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.C1=C(c2cc3ccccc3s2)N2CCN=C2S1
InChIInChI=1S/C13H10N2S2.BrH/c1-2-4-11-9(3-1)7-12(17-11)10-8-16-13-14-5-6-15(10)13;/h1-4,7-8H,5-6H2;1H
InChIKeyIGPJFYYYVMCFPY-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.20
Rot. Bonds1

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

3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 22474170) has the molecular formula C13H11BrN2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID22474170
Molecular FormulaC13H11BrN2S2
Molecular Weight339.28 g/mol
Exact Mass337.95
IUPAC Name3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.C1=C(c2cc3ccccc3s2)N2CCN=C2S1
InChIInChI=1S/C13H10N2S2.BrH/c1-2-4-11-9(3-1)7-12(17-11)10-8-16-13-14-5-6-15(10)13;/h1-4,7-8H,5-6H2;1H
InChIKeyIGPJFYYYVMCFPY-UHFFFAOYSA-N
XLogP4.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide (CID 22474170) is 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is Br.C1=C(c2cc3ccccc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is IGPJFYYYVMCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2.BrH/c1-2-4-11-9(3-1)7-12(17-11)10-8-16-13-14-5-6-15(10)13;/h1-4,7-8H,5-6H2;1H.
What are the key properties of 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide?
3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 339.28 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 22474170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).