2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

C15H15BrN2S — CID 6603392

IUPAC2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide
SMILESBr.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N2S.BrH/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12;/h1-3,6-7,10H,4-5,8-9H2;1H
InChIKeyOQAUBKZYINMUOD-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.52
Rot. Bonds1

About 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide (PubChem CID 6603392) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide.

Molecular Properties

Compound Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide
PubChem CID6603392
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide
SMILESBr.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C15H14N2S.BrH/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12;/h1-3,6-7,10H,4-5,8-9H2;1H
InChIKeyOQAUBKZYINMUOD-UHFFFAOYSA-N
XLogP4.52
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The IUPAC name of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide (CID 6603392) is 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide.
What is the SMILES notation for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The canonical SMILES for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide is Br.c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1.
What is the InChIKey of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The InChIKey is OQAUBKZYINMUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S.BrH/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12;/h1-3,6-7,10H,4-5,8-9H2;1H.
What are the key properties of 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide?
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide has a molecular weight of 335.27 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide is sourced from PubChem (CID 6603392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).