2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

C20H12FN3S — CID 132527617

IUPAC2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H12FN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H
InChIKeyVZYPLHWWZDKTHO-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.42
Rot. Bonds2

About 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (PubChem CID 132527617) has the molecular formula C20H12FN3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
PubChem CID132527617
Molecular FormulaC20H12FN3S
Molecular Weight345.40 g/mol
Exact Mass345.07
IUPAC Name2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESFc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H12FN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H
InChIKeyVZYPLHWWZDKTHO-UHFFFAOYSA-N
XLogP5.42
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (CID 132527617) is 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is Fc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The InChIKey is VZYPLHWWZDKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H.
What are the key properties of 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole has a molecular weight of 345.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 132527617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).