2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide

C19H18BrN3S — CID 11509559

IUPAC2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide
SMILESBr.c1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3S.BrH/c1-2-6-18-17(5-1)22-13-16(20-19(22)23-18)14-7-9-15(10-8-14)21-11-3-4-12-21;/h1-2,5-10,13H,3-4,11-12H2;1H
InChIKeySDWNVYGHFHNRBJ-UHFFFAOYSA-N
MW400.35 g/mol
LogP5.39
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide

2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide (PubChem CID 11509559) has the molecular formula C19H18BrN3S and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide
PubChem CID11509559
Molecular FormulaC19H18BrN3S
Molecular Weight400.35 g/mol
Exact Mass399.04
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide
SMILESBr.c1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3S.BrH/c1-2-6-18-17(5-1)22-13-16(20-19(22)23-18)14-7-9-15(10-8-14)21-11-3-4-12-21;/h1-2,5-10,13H,3-4,11-12H2;1H
InChIKeySDWNVYGHFHNRBJ-UHFFFAOYSA-N
XLogP5.39
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide (CID 11509559) is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide is Br.c1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide?
The InChIKey is SDWNVYGHFHNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S.BrH/c1-2-6-18-17(5-1)22-13-16(20-19(22)23-18)14-7-9-15(10-8-14)21-11-3-4-12-21;/h1-2,5-10,13H,3-4,11-12H2;1H.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide?
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide has a molecular weight of 400.35 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole;hydrobromide is sourced from PubChem (CID 11509559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).