2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C23H27N3O2S — CID 53205416

IUPAC2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)c(NCCCOC)n12
InChIInChI=1S/C23H27N3O2S/c1-5-28-17-9-10-19-20(14-17)29-23-25-21(18-13-15(2)7-8-16(18)3)22(26(19)23)24-11-6-12-27-4/h7-10,13-14,24H,5-6,11-12H2,1-4H3
InChIKeyZQUQDXFLWWAYLF-UHFFFAOYSA-N
MW409.56 g/mol
LogP5.68
Rot. Bonds8

About 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53205416) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53205416
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)c(NCCCOC)n12
InChIInChI=1S/C23H27N3O2S/c1-5-28-17-9-10-19-20(14-17)29-23-25-21(18-13-15(2)7-8-16(18)3)22(26(19)23)24-11-6-12-27-4/h7-10,13-14,24H,5-6,11-12H2,1-4H3
InChIKeyZQUQDXFLWWAYLF-UHFFFAOYSA-N
XLogP5.68
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 55.68
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

6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
6-chloro-2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205447
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
4-[6-chloro-1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxyphenol
CID 53205448
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205395
2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53010641
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53205416) is 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is CCOc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)c(NCCCOC)n12.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is ZQUQDXFLWWAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-5-28-17-9-10-19-20(14-17)29-23-25-21(18-13-15(2)7-8-16(18)3)22(26(19)23)24-11-6-12-27-4/h7-10,13-14,24H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 409.56 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).