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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Related Compounds

2-bromo-6-(5-piperidin-1-ylpentyl)imidazo[2,1-b][1,3]benzothiazole;tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-[4-[6-(5-piperidin-1-ylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]cyclopropyl]carbamate;tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167567880
3-[2-(azepan-1-yl)ethyl]-6-(3-bromopropyl)-1,3-benzothiazol-2-one
CID 59630101
[4-[6-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 141189449
6-butyl-2-(2-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209863
6-(3-pyrrolidin-1-ylpropyl)-3H-1,3-benzothiazol-2-one
CID 22413482
3-[2-(azepan-1-yl)ethyl]-6-(3-hydroxypropyl)-1,3-benzothiazol-2-one
CID 59630065
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571983
3-methyl-6-[4-[methyl(2-piperidin-1-ylethyl)amino]butyl]-1,3-benzothiazol-2-one
CID 21474225
3-methyl-6-[4-[2-methyl-4-(2-piperidin-1-ylethyl)pyrrol-2-yl]butyl]-1,3-benzothiazol-2-one
CID 57155632
2-(3-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571699
2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571912

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).