2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone

C23H23N3OS — CID 167547905

IUPAC2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
SMILESCNC1CC(CC(=O)c2ccc3c(c2)sc2nc(-c4cccc(C)c4)cn23)C1
InChIInChI=1S/C23H23N3OS/c1-14-4-3-5-16(8-14)19-13-26-20-7-6-17(12-22(20)28-23(26)25-19)21(27)11-15-9-18(10-15)24-2/h3-8,12-13,15,18,24H,9-11H2,1-2H3
InChIKeyCAMSIAVUBJZZHG-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.10
Rot. Bonds5

About 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone

2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone (PubChem CID 167547905) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone.

Molecular Properties

Compound Name2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
PubChem CID167547905
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
SMILESCNC1CC(CC(=O)c2ccc3c(c2)sc2nc(-c4cccc(C)c4)cn23)C1
InChIInChI=1S/C23H23N3OS/c1-14-4-3-5-16(8-14)19-13-26-20-7-6-17(12-22(20)28-23(26)25-19)21(27)11-15-9-18(10-15)24-2/h3-8,12-13,15,18,24H,9-11H2,1-2H3
InChIKeyCAMSIAVUBJZZHG-UHFFFAOYSA-N
XLogP5.10
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
CID 167710337
formic acid;N-[3-(methylamino)cyclobutyl]-2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 175792726
tert-butyl N-(3-aminocyclobutyl)-N-methylcarbamate;tert-butyl N-methyl-N-[3-[2-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-2-oxoethyl]cyclobutyl]carbamate;deuteride;tris(2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone);2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 167552435
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
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
4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167666013
2-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571915
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
5-amino-1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167596733
ethyl 2-(3-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 166039163

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone?
The IUPAC name of 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone (CID 167547905) is 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone.
What is the SMILES notation for 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone?
The canonical SMILES for 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone is CNC1CC(CC(=O)c2ccc3c(c2)sc2nc(-c4cccc(C)c4)cn23)C1.
What is the InChIKey of 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone?
The InChIKey is CAMSIAVUBJZZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-14-4-3-5-16(8-14)19-13-26-20-7-6-17(12-22(20)28-23(26)25-19)21(27)11-15-9-18(10-15)24-2/h3-8,12-13,15,18,24H,9-11H2,1-2H3.
What are the key properties of 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone?
2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone has a molecular weight of 389.52 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone is sourced from PubChem (CID 167547905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).