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

C18H21FN4O3S — CID 154565088

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

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 154565088) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 154565088
• Molecular Formula: C18H21FN4O3S
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.13
• IUPAC Name: 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCOCc1nnc(N2CC(C(=O)NCc3ccc(C)c(F)c3)CC2=O)s1
• InChI: InChI=1S/C18H21FN4O3S/c1-3-26-10-15-21-22-18(27-15)23-9-13(7-16(23)24)17(25)20-8-12-5-4-11(2)14(19)6-12/h4-6,13H,3,7-10H2,1-2H3,(H,20,25)
• InChIKey: YQPQSYXEHPWUJS-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 154565088) is 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(N2CC(C(=O)NCc3ccc(C)c(F)c3)CC2=O)s1.

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

The InChIKey is YQPQSYXEHPWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-3-26-10-15-21-22-18(27-15)23-9-13(7-16(23)24)17(25)20-8-12-5-4-11(2)14(19)6-12/h4-6,13H,3,7-10H2,1-2H3,(H,20,25).

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

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154565088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).