N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine

C13H15N3O2S — CID 107649544

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine (PubChem CID 107649544) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine.

Molecular Properties

• Compound Name: N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine
• PubChem CID: 107649544
• Molecular Formula: C13H15N3O2S
• Molecular Weight: 277.35 g/mol
• Exact Mass: 277.09
• IUPAC Name: N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine
• SMILES: COc1cc2c(cc1CNc1cnns1)OC(C)C2
• InChI: InChI=1S/C13H15N3O2S/c1-8-3-9-4-11(17-2)10(5-12(9)18-8)6-14-13-7-15-16-19-13/h4-5,7-8,14H,3,6H2,1-2H3
• InChIKey: DGPGNXYHWAKFRH-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.35
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine (CID 107649544) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine.

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

The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine is COc1cc2c(cc1CNc1cnns1)OC(C)C2.

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

The InChIKey is DGPGNXYHWAKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-3-9-4-11(17-2)10(5-12(9)18-8)6-14-13-7-15-16-19-13/h4-5,7-8,14H,3,6H2,1-2H3.

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

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine has a molecular weight of 277.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).