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

C17H19FN4O3S — CID 6463482

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

1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6463482) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 6463482
• Molecular Formula: C17H19FN4O3S
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.12
• IUPAC Name: 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COCc1nnc(NC(=O)C2CC(=O)N(CCc3ccc(F)cc3)C2)s1
• InChI: InChI=1S/C17H19FN4O3S/c1-25-10-14-20-21-17(26-14)19-16(24)12-8-15(23)22(9-12)7-6-11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3,(H,19,21,24)
• InChIKey: NJVBCMCCCHREBG-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 6463482) is 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COCc1nnc(NC(=O)C2CC(=O)N(CCc3ccc(F)cc3)C2)s1.

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

The InChIKey is NJVBCMCCCHREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-25-10-14-20-21-17(26-14)19-16(24)12-8-15(23)22(9-12)7-6-11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3,(H,19,21,24).

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

1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-fluorophenyl)ethyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6463482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).