1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one

C23H19NO4S — CID 159256452

About 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one

1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one (PubChem CID 159256452) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
• PubChem CID: 159256452
• Molecular Formula: C23H19NO4S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.10
• IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
• SMILES: COc1ccc2c(CC(=O)Cc3nc(-c4ccc5c(c4)CCO5)cs3)coc2c1
• InChI: InChI=1S/C23H19NO4S/c1-26-18-3-4-19-16(12-28-22(19)11-18)9-17(25)10-23-24-20(13-29-23)14-2-5-21-15(8-14)6-7-27-21/h2-5,8,11-13H,6-7,9-10H2,1H3
• InChIKey: KVYNUYWZYBBYME-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 61.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?

The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one (CID 159256452) is 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one.

What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?

The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one is COc1ccc2c(CC(=O)Cc3nc(-c4ccc5c(c4)CCO5)cs3)coc2c1.

What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?

The InChIKey is KVYNUYWZYBBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-26-18-3-4-19-16(12-28-22(19)11-18)9-17(25)10-23-24-20(13-29-23)14-2-5-21-15(8-14)6-7-27-21/h2-5,8,11-13H,6-7,9-10H2,1H3.

What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?

1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one has a molecular weight of 405.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one is sourced from PubChem (CID 159256452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).