2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid

C18H14N2O2S — CID 20887135

IUPAC2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESCCc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)cc1
InChIInChI=1S/C18H14N2O2S/c1-2-11-3-5-12(6-4-11)14-10-20-15-8-7-13(17(21)22)9-16(15)23-18(20)19-14/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOUFIJNRNQMHIEX-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid

2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (PubChem CID 20887135) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
PubChem CID20887135
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESCCc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)cc1
InChIInChI=1S/C18H14N2O2S/c1-2-11-3-5-12(6-4-11)14-10-20-15-8-7-13(17(21)22)9-16(15)23-18(20)19-14/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOUFIJNRNQMHIEX-UHFFFAOYSA-N
XLogP4.48
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (CID 20887135) is 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is CCc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)cc1.
What is the InChIKey of 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The InChIKey is OUFIJNRNQMHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-2-11-3-5-12(6-4-11)14-10-20-15-8-7-13(17(21)22)9-16(15)23-18(20)19-14/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid has a molecular weight of 322.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is sourced from PubChem (CID 20887135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).