6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C10H5FN2O2S — CID 2783384

IUPAC6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C10H5FN2O2S/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10/h1-4H,(H,14,15)
InChIKeyWLWVJQBLVPCFAH-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.39
Rot. Bonds1

About 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 2783384) has the molecular formula C10H5FN2O2S and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID2783384
Molecular FormulaC10H5FN2O2S
Molecular Weight236.23 g/mol
Exact Mass236.01
IUPAC Name6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C10H5FN2O2S/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10/h1-4H,(H,14,15)
InChIKeyWLWVJQBLVPCFAH-UHFFFAOYSA-N
XLogP2.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 2783384) is 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is O=C(O)c1cn2c(n1)sc1cc(F)ccc12.
What is the InChIKey of 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is WLWVJQBLVPCFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O2S/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10/h1-4H,(H,14,15).
What are the key properties of 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 2783384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).