2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole

C23H14FNOS — CID 130289062

IUPAC2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cc5ccccc5o4)n3)c2)cc1
InChIInChI=1S/C23H14FNOS/c24-19-10-8-15(9-11-19)16-5-3-6-17(12-16)20-14-27-23(25-20)22-13-18-4-1-2-7-21(18)26-22/h1-14H
InChIKeyRHRUKWKYHCAJTG-UHFFFAOYSA-N
MW371.44 g/mol
LogP7.03
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole

2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole (PubChem CID 130289062) has the molecular formula C23H14FNOS and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole
PubChem CID130289062
Molecular FormulaC23H14FNOS
Molecular Weight371.44 g/mol
Exact Mass371.08
IUPAC Name2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cc5ccccc5o4)n3)c2)cc1
InChIInChI=1S/C23H14FNOS/c24-19-10-8-15(9-11-19)16-5-3-6-17(12-16)20-14-27-23(25-20)22-13-18-4-1-2-7-21(18)26-22/h1-14H
InChIKeyRHRUKWKYHCAJTG-UHFFFAOYSA-N
XLogP7.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole (CID 130289062) is 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole is Fc1ccc(-c2cccc(-c3csc(-c4cc5ccccc5o4)n3)c2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole?
The InChIKey is RHRUKWKYHCAJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNOS/c24-19-10-8-15(9-11-19)16-5-3-6-17(12-16)20-14-27-23(25-20)22-13-18-4-1-2-7-21(18)26-22/h1-14H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole?
2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole has a molecular weight of 371.44 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 130289062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).