3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

C24H13FN2O4S2 — CID 3330985

About 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 3330985) has the molecular formula C24H13FN2O4S2 and a molecular weight of 476.51 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
• PubChem CID: 3330985
• Molecular Formula: C24H13FN2O4S2
• Molecular Weight: 476.51 g/mol
• Exact Mass: 476.03
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccs1)c1cc2ccccc2o1
• InChI: InChI=1S/C24H13FN2O4S2/c25-13-7-8-14-18(11-13)33-24(26-14)27-20(17-6-3-9-32-17)19(22(29)23(27)30)21(28)16-10-12-4-1-2-5-15(12)31-16/h1-11,20,29H
• InChIKey: POEWFTPAZSRNGY-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (CID 3330985) is 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)C1c1cccs1)c1cc2ccccc2o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

The InChIKey is POEWFTPAZSRNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13FN2O4S2/c25-13-7-8-14-18(11-13)33-24(26-14)27-20(17-6-3-9-32-17)19(22(29)23(27)30)21(28)16-10-12-4-1-2-5-15(12)31-16/h1-11,20,29H.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 476.51 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3330985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).