2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H24N4O2S — CID 170717518

IUPAC2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)N[C@H]4CCCN(C)C4)ccc23)cc1
InChIInChI=1S/C24H24N4O2S/c1-15(29)16-5-7-17(8-6-16)20-14-28-21-10-9-18(12-22(21)31-24(28)26-20)23(30)25-19-4-3-11-27(2)13-19/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,30)/t19-/m0/s1
InChIKeyBTOAYEUMRIQWIK-IBGZPJMESA-N
MW432.55 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 170717518) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID170717518
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)N[C@H]4CCCN(C)C4)ccc23)cc1
InChIInChI=1S/C24H24N4O2S/c1-15(29)16-5-7-17(8-6-16)20-14-28-21-10-9-18(12-22(21)31-24(28)26-20)23(30)25-19-4-3-11-27(2)13-19/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,30)/t19-/m0/s1
InChIKeyBTOAYEUMRIQWIK-IBGZPJMESA-N
XLogP4.24
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571980
2-[4-(methylcarbamoyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571678
N-(2-methylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523505
2-[4-(methylcarbamoyl)phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571726
N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523506
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576
formic acid;N-[3-(methylamino)cyclobutyl]-2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 175792726
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163435
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
N-(2-azaspiro[3.3]heptan-6-yl)-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide;formic acid
CID 172763244
N-methyl-4-[6-(5-pyrrolidin-1-ylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167691694

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 170717518) is 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)N[C@H]4CCCN(C)C4)ccc23)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is BTOAYEUMRIQWIK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15(29)16-5-7-17(8-6-16)20-14-28-21-10-9-18(12-22(21)31-24(28)26-20)23(30)25-19-4-3-11-27(2)13-19/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,25,30)/t19-/m0/s1.
What are the key properties of 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-[(3S)-1-methylpiperidin-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 170717518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).