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

C19H17N3S — CID 11509560

IUPAC2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3S/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
InChIKeyQRKCFFDWJGFJLX-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.82
Rot. Bonds2

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

2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 11509560) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID11509560
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3S/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
InChIKeyQRKCFFDWJGFJLX-UHFFFAOYSA-N
XLogP4.82
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.82
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?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 11509560) is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole is c1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is QRKCFFDWJGFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/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.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole?
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 319.43 g/mol, XLogP of 4.82, 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 is sourced from PubChem (CID 11509560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).