N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C19H21N3O2S — CID 2641068

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 2641068) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• PubChem CID: 2641068
• Molecular Formula: C19H21N3O2S
• Molecular Weight: 355.46 g/mol
• Exact Mass: 355.14
• IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
• SMILES: Cc1cc2occ(CC(=O)Nc3nnc(C4CC4)s3)c2cc1C(C)C
• InChI: InChI=1S/C19H21N3O2S/c1-10(2)14-8-15-13(9-24-16(15)6-11(14)3)7-17(23)20-19-22-21-18(25-19)12-4-5-12/h6,8-10,12H,4-5,7H2,1-3H3,(H,20,22,23)
• InChIKey: FNNZPAIXLBIXQX-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.46
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 2641068) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3nnc(C4CC4)s3)c2cc1C(C)C.

What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

The InChIKey is FNNZPAIXLBIXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-10(2)14-8-15-13(9-24-16(15)6-11(14)3)7-17(23)20-19-22-21-18(25-19)12-4-5-12/h6,8-10,12H,4-5,7H2,1-3H3,(H,20,22,23).

What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2641068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).