N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

C18H22N6O3S — CID 50748267

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50748267) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 50748267
• Molecular Formula: C18H22N6O3S
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.15
• IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCc1nnc(NC(=O)CCc2nc(-c3ccc(C)n(C(C)C)c3=O)no2)s1
• InChI: InChI=1S/C18H22N6O3S/c1-5-15-21-22-18(28-15)19-13(25)8-9-14-20-16(23-27-14)12-7-6-11(4)24(10(2)3)17(12)26/h6-7,10H,5,8-9H2,1-4H3,(H,19,22,25)
• InChIKey: TTYBMMUGJCJUDD-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 115.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50748267) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1nnc(NC(=O)CCc2nc(-c3ccc(C)n(C(C)C)c3=O)no2)s1.

What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is TTYBMMUGJCJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-5-15-21-22-18(28-15)19-13(25)8-9-14-20-16(23-27-14)12-7-6-11(4)24(10(2)3)17(12)26/h6-7,10H,5,8-9H2,1-4H3,(H,19,22,25).

What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 402.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).