1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C16H20N2O2S — CID 115349548

About 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 115349548) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
• PubChem CID: 115349548
• Molecular Formula: C16H20N2O2S
• Molecular Weight: 304.42 g/mol
• Exact Mass: 304.12
• IUPAC Name: 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
• SMILES: CNC(C)c1csc(-c2cc3c(cc2OC)CC(C)O3)n1
• InChI: InChI=1S/C16H20N2O2S/c1-9-5-11-6-15(19-4)12(7-14(11)20-9)16-18-13(8-21-16)10(2)17-3/h6-10,17H,5H2,1-4H3
• InChIKey: HFNUDILDXPRRKK-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 43.38 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	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 115349548) is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

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

The canonical SMILES for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(-c2cc3c(cc2OC)CC(C)O3)n1.

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

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

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

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 304.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).