methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate

C15H15NO4S — CID 115349493

About methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate (PubChem CID 115349493) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
• PubChem CID: 115349493
• Molecular Formula: C15H15NO4S
• Molecular Weight: 305.36 g/mol
• Exact Mass: 305.07
• IUPAC Name: methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
• SMILES: COC(=O)c1cnc(-c2cc3c(cc2OC)CC(C)O3)s1
• InChI: InChI=1S/C15H15NO4S/c1-8-4-9-5-12(18-2)10(6-11(9)20-8)14-16-7-13(21-14)15(17)19-3/h5-8H,4H2,1-3H3
• InChIKey: CCLINEZCNCJVMI-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 57.65 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.36
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate?

The IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate (CID 115349493) is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate.

What is the SMILES notation for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate?

The canonical SMILES for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2cc3c(cc2OC)CC(C)O3)s1.

What is the InChIKey of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate?

The InChIKey is CCLINEZCNCJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-8-4-9-5-12(18-2)10(6-11(9)20-8)14-16-7-13(21-14)15(17)19-3/h5-8H,4H2,1-3H3.

What are the key properties of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate?

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 115349493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).