N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C23H25N5OS — CID 164571983

IUPACN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccncc3)cn12
InChIInChI=1S/C23H25N5OS/c29-22(25-9-4-14-27-12-2-1-3-13-27)18-5-6-20-21(15-18)30-23-26-19(16-28(20)23)17-7-10-24-11-8-17/h5-8,10-11,15-16H,1-4,9,12-14H2,(H,25,29)
InChIKeyHEQOUCDUBMXHSL-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.22
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571983) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571983
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC NameN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccncc3)cn12
InChIInChI=1S/C23H25N5OS/c29-22(25-9-4-14-27-12-2-1-3-13-27)18-5-6-20-21(15-18)30-23-26-19(16-28(20)23)17-7-10-24-11-8-17/h5-8,10-11,15-16H,1-4,9,12-14H2,(H,25,29)
InChIKeyHEQOUCDUBMXHSL-UHFFFAOYSA-N
XLogP4.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-(3-methylphenyl)-N-(3-thiomorpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170717687
tert-butyl N-[[2-(difluoromethyl)-4-[6-(3-piperidin-1-ylpropylcarbamoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]methyl]carbamate
CID 164571675
butyl (2S)-2-[4-[6-(3-piperidin-1-ylpropylcarbamoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 175792710
N-methyl-4-[6-(5-pyrrolidin-1-ylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167691694
tert-butyl N-[[3-(difluoromethyl)-4-[6-(3-piperidin-1-ylpropylcarbamoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]methyl]carbamate
CID 164572008
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-[4-[(2S)-pyrrolidin-2-yl]-3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039357
2-[4-(methylcarbamoyl)phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571726
2-(2-fluorophenyl)-N-[3-(4-fluoropiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide;pyrrolidin-2-one
CID 170717638
2-(5-fluoro-2,3-dihydro-1H-indol-6-yl)-N-[3-(4-fluoropiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170717563
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571983) is N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccncc3)cn12.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is HEQOUCDUBMXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c29-22(25-9-4-14-27-12-2-1-3-13-27)18-5-6-20-21(15-18)30-23-26-19(16-28(20)23)17-7-10-24-11-8-17/h5-8,10-11,15-16H,1-4,9,12-14H2,(H,25,29).
What are the key properties of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).