(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H21FN4O3S — CID 7337089

About (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 7337089) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 7337089
• Molecular Formula: C18H21FN4O3S
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.13
• IUPAC Name: (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1
• InChI: InChI=1S/C18H21FN4O3S/c1-2-26-11-15-21-22-18(27-15)20-17(25)13-9-16(24)23(10-13)8-7-12-3-5-14(19)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,20,22,25)/t13-/m0/s1
• InChIKey: FGFLRSLJEUEKLR-ZDUSSCGKSA-N
• XLogP: 2.24
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 7337089) is (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1.

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

The InChIKey is FGFLRSLJEUEKLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-2-26-11-15-21-22-18(27-15)20-17(25)13-9-16(24)23(10-13)8-7-12-3-5-14(19)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,20,22,25)/t13-/m0/s1.

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

(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7337089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).