6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

C26H24N2O4S — CID 155813131

IUPAC6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)n12
InChIInChI=1S/C26H24N2O4S/c1-5-32-18-11-12-19-22(15-18)33-26-27-23(16-9-7-6-8-10-16)24(28(19)26)17-13-20(29-2)25(31-4)21(14-17)30-3/h6-15H,5H2,1-4H3
InChIKeyMJEUJOSAGSKJIS-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.31
Rot. Bonds7

About 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 155813131) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID155813131
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)n12
InChIInChI=1S/C26H24N2O4S/c1-5-32-18-11-12-19-22(15-18)33-26-27-23(16-9-7-6-8-10-16)24(28(19)26)17-13-20(29-2)25(31-4)21(14-17)30-3/h6-15H,5H2,1-4H3
InChIKeyMJEUJOSAGSKJIS-UHFFFAOYSA-N
XLogP6.31
TPSA54.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 155813131) is 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)n12.
What is the InChIKey of 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is MJEUJOSAGSKJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-5-32-18-11-12-19-22(15-18)33-26-27-23(16-9-7-6-8-10-16)24(28(19)26)17-13-20(29-2)25(31-4)21(14-17)30-3/h6-15H,5H2,1-4H3.
What are the key properties of 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 460.56 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 155813131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).