4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole

C15H7FN2O4S — CID 146460717

IUPAC4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3cc4ccc(F)cc4o3)cs2)o1
InChIInChI=1S/C15H7FN2O4S/c16-9-2-1-8-5-13(21-12(8)6-9)10-7-23-15(17-10)11-3-4-14(22-11)18(19)20/h1-7H
InChIKeyQNCOEJVKNKPLLY-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.86
Rot. Bonds3

About 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole

4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole (PubChem CID 146460717) has the molecular formula C15H7FN2O4S and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole
PubChem CID146460717
Molecular FormulaC15H7FN2O4S
Molecular Weight330.30 g/mol
Exact Mass330.01
IUPAC Name4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3cc4ccc(F)cc4o3)cs2)o1
InChIInChI=1S/C15H7FN2O4S/c16-9-2-1-8-5-13(21-12(8)6-9)10-7-23-15(17-10)11-3-4-14(22-11)18(19)20/h1-7H
InChIKeyQNCOEJVKNKPLLY-UHFFFAOYSA-N
XLogP4.86
TPSA82.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole (CID 146460717) is 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole is O=[N+]([O-])c1ccc(-c2nc(-c3cc4ccc(F)cc4o3)cs2)o1.
What is the InChIKey of 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole?
The InChIKey is QNCOEJVKNKPLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7FN2O4S/c16-9-2-1-8-5-13(21-12(8)6-9)10-7-23-15(17-10)11-3-4-14(22-11)18(19)20/h1-7H.
What are the key properties of 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole?
4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole has a molecular weight of 330.30 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 146460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).