5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C19H20N4O4S — CID 46319816

About 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46319816) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46319816
• Molecular Formula: C19H20N4O4S
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.12
• IUPAC Name: 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(C)o3)s2)cc1
• InChI: InChI=1S/C19H20N4O4S/c1-12-3-6-14(7-4-12)21-18(25)19-23-22-17(28-19)11-26-10-16(24)20-9-15-8-5-13(2)27-15/h3-8H,9-11H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: CLDQKPJWZWOAMG-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 46319816) is 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(C)o3)s2)cc1.

What is the InChIKey of 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is CLDQKPJWZWOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-3-6-14(7-4-12)21-18(25)19-23-22-17(28-19)11-26-10-16(24)20-9-15-8-5-13(2)27-15/h3-8H,9-11H2,1-2H3,(H,20,24)(H,21,25).

What are the key properties of 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?

5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46319816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).