2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole

C19H24BrN3S — CID 167567881

IUPAC2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole
SMILESBrc1cn2c(n1)sc1cc(CCCCCN3CCCCC3)ccc12
InChIInChI=1S/C19H24BrN3S/c20-18-14-23-16-9-8-15(13-17(16)24-19(23)21-18)7-3-1-4-10-22-11-5-2-6-12-22/h8-9,13-14H,1-7,10-12H2
InChIKeyNHCKUICVJCPXJT-UHFFFAOYSA-N
MW406.39 g/mol
LogP5.51
Rot. Bonds6

About 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole

2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 167567881) has the molecular formula C19H24BrN3S and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID167567881
Molecular FormulaC19H24BrN3S
Molecular Weight406.39 g/mol
Exact Mass405.09
IUPAC Name2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole
SMILESBrc1cn2c(n1)sc1cc(CCCCCN3CCCCC3)ccc12
InChIInChI=1S/C19H24BrN3S/c20-18-14-23-16-9-8-15(13-17(16)24-19(23)21-18)7-3-1-4-10-22-11-5-2-6-12-22/h8-9,13-14H,1-7,10-12H2
InChIKeyNHCKUICVJCPXJT-UHFFFAOYSA-N
XLogP5.51
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole (CID 167567881) is 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole is Brc1cn2c(n1)sc1cc(CCCCCN3CCCCC3)ccc12.
What is the InChIKey of 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is NHCKUICVJCPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3S/c20-18-14-23-16-9-8-15(13-17(16)24-19(23)21-18)7-3-1-4-10-22-11-5-2-6-12-22/h8-9,13-14H,1-7,10-12H2.
What are the key properties of 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole?
2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 406.39 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 167567881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).