N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H19N3O2S — CID 22523651

IUPACN-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccccc4)ccc23)c1
InChIInChI=1S/C24H19N3O2S/c1-29-19-9-5-8-17(12-19)20-15-27-21-11-10-18(13-22(21)30-24(27)26-20)23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28)
InChIKeyQDSJUYSHJJPQIH-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.15
Rot. Bonds5

About N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523651) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523651
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccccc4)ccc23)c1
InChIInChI=1S/C24H19N3O2S/c1-29-19-9-5-8-17(12-19)20-15-27-21-11-10-18(13-22(21)30-24(27)26-20)23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28)
InChIKeyQDSJUYSHJJPQIH-UHFFFAOYSA-N
XLogP5.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
2-phenyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523691
N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523576
[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
CID 1480560
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523820
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523651) is N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is COc1cccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccccc4)ccc23)c1.
What is the InChIKey of N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is QDSJUYSHJJPQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-29-19-9-5-8-17(12-19)20-15-27-21-11-10-18(13-22(21)30-24(27)26-20)23(28)25-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,25,28).
What are the key properties of N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).