6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole

C19H11FN2OS — CID 155511341

IUPAC6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1
InChIInChI=1S/C19H11FN2OS/c20-14-7-5-12(6-8-14)16-11-24-19-21-15(10-22(16)19)18-9-13-3-1-2-4-17(13)23-18/h1-11H
InChIKeyPTKYOSKHWDDURT-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.62
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole

6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155511341) has the molecular formula C19H11FN2OS and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID155511341
Molecular FormulaC19H11FN2OS
Molecular Weight334.38 g/mol
Exact Mass334.06
IUPAC Name6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1
InChIInChI=1S/C19H11FN2OS/c20-14-7-5-12(6-8-14)16-11-24-19-21-15(10-22(16)19)18-9-13-3-1-2-4-17(13)23-18/h1-11H
InChIKeyPTKYOSKHWDDURT-UHFFFAOYSA-N
XLogP5.62
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (CID 155511341) is 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is Fc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is PTKYOSKHWDDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2OS/c20-14-7-5-12(6-8-14)16-11-24-19-21-15(10-22(16)19)18-9-13-3-1-2-4-17(13)23-18/h1-11H.
What are the key properties of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 334.38 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155511341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).