2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

C19H18N2S — CID 19209736

IUPAC2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1
InChIInChI=1S/C19H18N2S/c1-4-14-6-8-15(9-7-14)16-11-21-18-13(3)12(2)5-10-17(18)22-19(21)20-16/h5-11H,4H2,1-3H3
InChIKeyRULSIOHRQRHNNG-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.40
Rot. Bonds2

About 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole

2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209736) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209736
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1
InChIInChI=1S/C19H18N2S/c1-4-14-6-8-15(9-7-14)16-11-21-18-13(3)12(2)5-10-17(18)22-19(21)20-16/h5-11H,4H2,1-3H3
InChIKeyRULSIOHRQRHNNG-UHFFFAOYSA-N
XLogP5.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole (CID 19209736) is 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is CCc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is RULSIOHRQRHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S/c1-4-14-6-8-15(9-7-14)16-11-21-18-13(3)12(2)5-10-17(18)22-19(21)20-16/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole?
2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 306.43 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7,8-dimethylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).