2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H24N4O2S — CID 164571915

IUPAC2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN4CCCC4=O)ccc23)c1
InChIInChI=1S/C24H24N4O2S/c1-16-5-2-6-17(13-16)19-15-28-20-9-8-18(14-21(20)31-24(28)26-19)23(30)25-10-4-12-27-11-3-7-22(27)29/h2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3,(H,25,30)
InChIKeyWYVMAISDWYQKCO-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.27
Rot. Bonds6

About 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571915) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571915
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN4CCCC4=O)ccc23)c1
InChIInChI=1S/C24H24N4O2S/c1-16-5-2-6-17(13-16)19-15-28-20-9-8-18(14-21(20)31-24(28)26-19)23(30)25-10-4-12-27-11-3-7-22(27)29/h2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3,(H,25,30)
InChIKeyWYVMAISDWYQKCO-UHFFFAOYSA-N
XLogP4.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methylphenyl)-N-(3-thiomorpholin-4-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 170717687
N-[3-(diethylamino)propyl]-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039411
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
tert-butyl N-[3-[[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]propyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 170693059
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571983
formic acid;N-[3-(methylamino)cyclobutyl]-2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 175792726
3-(2,6-diaminopyrimidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 122569048
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571962
2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571912
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 164571915) is 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is Cc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN4CCCC4=O)ccc23)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is WYVMAISDWYQKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-5-2-6-17(13-16)19-15-28-20-9-8-18(14-21(20)31-24(28)26-19)23(30)25-10-4-12-27-11-3-7-22(27)29/h2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3,(H,25,30).
What are the key properties of 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).