(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine

C16H20N2O2S — CID 43559021

About (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine

(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43559021) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

• Compound Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine
• PubChem CID: 43559021
• Molecular Formula: C16H20N2O2S
• Molecular Weight: 304.42 g/mol
• Exact Mass: 304.12
• IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine
• SMILES: CCOc1cc2c(cc1C(N)c1ncc(C)s1)OC(C)C2
• InChI: InChI=1S/C16H20N2O2S/c1-4-19-14-6-11-5-9(2)20-13(11)7-12(14)15(17)16-18-8-10(3)21-16/h6-9,15H,4-5,17H2,1-3H3
• InChIKey: JPHUEUMWJDLGJX-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 57.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.42
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine?

The IUPAC name of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43559021) is (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

What is the SMILES notation for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine?

The canonical SMILES for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine is CCOc1cc2c(cc1C(N)c1ncc(C)s1)OC(C)C2.

What is the InChIKey of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine?

The InChIKey is JPHUEUMWJDLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-19-14-6-11-5-9(2)20-13(11)7-12(14)15(17)16-18-8-10(3)21-16/h6-9,15H,4-5,17H2,1-3H3.

What are the key properties of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine?

(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 304.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43559021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).