1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea

C21H19N3O4S — CID 30349569

About 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea

1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea (PubChem CID 30349569) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
• PubChem CID: 30349569
• Molecular Formula: C21H19N3O4S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.11
• IUPAC Name: 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
• SMILES: CCOc1cccc2cc(-c3csc(NC(=O)Nc4ccc(OC)cc4)n3)oc12
• InChI: InChI=1S/C21H19N3O4S/c1-3-27-17-6-4-5-13-11-18(28-19(13)17)16-12-29-21(23-16)24-20(25)22-14-7-9-15(26-2)10-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25)
• InChIKey: PQTLCSHWHZKOFD-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 85.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?

The IUPAC name of 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea (CID 30349569) is 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea.

What is the SMILES notation for 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?

The canonical SMILES for 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea is CCOc1cccc2cc(-c3csc(NC(=O)Nc4ccc(OC)cc4)n3)oc12.

What is the InChIKey of 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?

The InChIKey is PQTLCSHWHZKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-3-27-17-6-4-5-13-11-18(28-19(13)17)16-12-29-21(23-16)24-20(25)22-14-7-9-15(26-2)10-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25).

What are the key properties of 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea?

1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 409.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 30349569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).