5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide

C22H19FN2O2S — CID 35343167

About 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 35343167) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 35343167
• Molecular Formula: C22H19FN2O2S
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.12
• IUPAC Name: 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1
• InChI: InChI=1S/C22H19FN2O2S/c1-13-3-5-15(6-4-13)22-25-17(12-28-22)9-10-24-21(26)20-14(2)18-11-16(23)7-8-19(18)27-20/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
• InChIKey: ZVMAVPHWUZVWBX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide (CID 35343167) is 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide is Cc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1.

What is the InChIKey of 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide?

The InChIKey is ZVMAVPHWUZVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-13-3-5-15(6-4-13)22-25-17(12-28-22)9-10-24-21(26)20-14(2)18-11-16(23)7-8-19(18)27-20/h3-8,11-12H,9-10H2,1-2H3,(H,24,26).

What are the key properties of 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide?

5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35343167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).