2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid

C17H11FN2O2S — CID 13089428

IUPAC2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
SMILESO=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)
InChIKeyIPQFZWJAJNOFKY-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.98
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid

2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (PubChem CID 13089428) has the molecular formula C17H11FN2O2S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
PubChem CID13089428
Molecular FormulaC17H11FN2O2S
Molecular Weight326.35 g/mol
Exact Mass326.05
IUPAC Name2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
SMILESO=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)
InChIKeyIPQFZWJAJNOFKY-UHFFFAOYSA-N
XLogP3.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (CID 13089428) is 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid is O=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The InChIKey is IPQFZWJAJNOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid is sourced from PubChem (CID 13089428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).