N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H19N3O2S — CID 18089719

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18089719) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 18089719
• Molecular Formula: C16H19N3O2S
• Molecular Weight: 317.41 g/mol
• Exact Mass: 317.12
• IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CCC(CC)c1nnc(NC(=O)C2Cc3ccccc3O2)s1
• InChI: InChI=1S/C16H19N3O2S/c1-3-10(4-2)15-18-19-16(22-15)17-14(20)13-9-11-7-5-6-8-12(11)21-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19,20)
• InChIKey: TUHYAHAJRRVBTR-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.41
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18089719) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCC(CC)c1nnc(NC(=O)C2Cc3ccccc3O2)s1.

What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is TUHYAHAJRRVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-10(4-2)15-18-19-16(22-15)17-14(20)13-9-11-7-5-6-8-12(11)21-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19,20).

What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).