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

C16H9FN2O2S — CID 20887161

IUPAC2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C16H9FN2O2S/c17-11-4-1-9(2-5-11)12-8-19-13-6-3-10(15(20)21)7-14(13)22-16(19)18-12/h1-8H,(H,20,21)
InChIKeyMRNKJXNELCXHJG-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.05
Rot. Bonds2

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

2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (PubChem CID 20887161) has the molecular formula C16H9FN2O2S and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
PubChem CID20887161
Molecular FormulaC16H9FN2O2S
Molecular Weight312.33 g/mol
Exact Mass312.04
IUPAC Name2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C16H9FN2O2S/c17-11-4-1-9(2-5-11)12-8-19-13-6-3-10(15(20)21)7-14(13)22-16(19)18-12/h1-8H,(H,20,21)
InChIKeyMRNKJXNELCXHJG-UHFFFAOYSA-N
XLogP4.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (CID 20887161) is 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is O=C(O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The InChIKey is MRNKJXNELCXHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O2S/c17-11-4-1-9(2-5-11)12-8-19-13-6-3-10(15(20)21)7-14(13)22-16(19)18-12/h1-8H,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is sourced from PubChem (CID 20887161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).