6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C22H25N3O3S — CID 53205441

IUPAC6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2NCCOC)cc1
InChIInChI=1S/C22H25N3O3S/c1-4-27-16-8-6-15(7-9-16)20-21(23-12-13-26-3)25-18-11-10-17(28-5-2)14-19(18)29-22(25)24-20/h6-11,14,23H,4-5,12-13H2,1-3H3
InChIKeyOFPWUKNAMJJANE-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.07
Rot. Bonds9

About 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53205441) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53205441
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2NCCOC)cc1
InChIInChI=1S/C22H25N3O3S/c1-4-27-16-8-6-15(7-9-16)20-21(23-12-13-26-3)25-18-11-10-17(28-5-2)14-19(18)29-22(25)24-20/h6-11,14,23H,4-5,12-13H2,1-3H3
InChIKeyOFPWUKNAMJJANE-UHFFFAOYSA-N
XLogP5.07
TPSA57.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205416
6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205459
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
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
N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205395
6-chloro-2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205447
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209596

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53205441) is 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is CCOc1ccc(-c2nc3sc4cc(OCC)ccc4n3c2NCCOC)cc1.
What is the InChIKey of 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is OFPWUKNAMJJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-4-27-16-8-6-15(7-9-16)20-21(23-12-13-26-3)25-18-11-10-17(28-5-2)14-19(18)29-22(25)24-20/h6-11,14,23H,4-5,12-13H2,1-3H3.
What are the key properties of 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 411.53 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53205441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).