1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H20N6O3S — CID 155495117

About 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 155495117) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 155495117
• Molecular Formula: C16H20N6O3S
• Molecular Weight: 376.44 g/mol
• Exact Mass: 376.13
• IUPAC Name: 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCOCc1nnc(N2CC(C(=O)NCc3cnc(C)cn3)CC2=O)s1
• InChI: InChI=1S/C16H20N6O3S/c1-3-25-9-13-20-21-16(26-13)22-8-11(4-14(22)23)15(24)19-7-12-6-17-10(2)5-18-12/h5-6,11H,3-4,7-9H2,1-2H3,(H,19,24)
• InChIKey: JTHSKAYVKKDKPR-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 110.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.44
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 155495117) is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(N2CC(C(=O)NCc3cnc(C)cn3)CC2=O)s1.

What is the InChIKey of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is JTHSKAYVKKDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-3-25-9-13-20-21-16(26-13)22-8-11(4-14(22)23)15(24)19-7-12-6-17-10(2)5-18-12/h5-6,11H,3-4,7-9H2,1-2H3,(H,19,24).

What are the key properties of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155495117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).