1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C20H20N4O2S — CID 24506396

About 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 24506396) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 24506396
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: CC(C)c1nnc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)s1
• InChI: InChI=1S/C20H20N4O2S/c1-12(2)19-22-23-20(27-19)21-18(26)14-10-17(25)24(11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3,(H,21,23,26)
• InChIKey: SWNJRSCTLMOOOQ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 24506396) is 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1nnc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)s1.

What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is SWNJRSCTLMOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(2)19-22-23-20(27-19)21-18(26)14-10-17(25)24(11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3,(H,21,23,26).

What are the key properties of 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 24506396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).