1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole

C25H22N2O3S — CID 155816074

IUPAC1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3ccc(OC)cc3OC)n12
InChIInChI=1S/C25H22N2O3S/c1-4-30-18-11-13-20-22(15-18)31-25-26-23(16-8-6-5-7-9-16)24(27(20)25)19-12-10-17(28-2)14-21(19)29-3/h5-15H,4H2,1-3H3
InChIKeyAHCXBRFUGTXYQH-UHFFFAOYSA-N
MW430.53 g/mol
LogP6.30
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole

1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 155816074) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID155816074
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3ccc(OC)cc3OC)n12
InChIInChI=1S/C25H22N2O3S/c1-4-30-18-11-13-20-22(15-18)31-25-26-23(16-8-6-5-7-9-16)24(27(20)25)19-12-10-17(28-2)14-21(19)29-3/h5-15H,4H2,1-3H3
InChIKeyAHCXBRFUGTXYQH-UHFFFAOYSA-N
XLogP6.30
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 155816074) is 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(-c3ccc(OC)cc3OC)n12.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is AHCXBRFUGTXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-4-30-18-11-13-20-22(15-18)31-25-26-23(16-8-6-5-7-9-16)24(27(20)25)19-12-10-17(28-2)14-21(19)29-3/h5-15H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 430.53 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 155816074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).