2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C14H14N6O2S2 — CID 45232626

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 45232626) has the molecular formula C14H14N6O2S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
• PubChem CID: 45232626
• Molecular Formula: C14H14N6O2S2
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.06
• IUPAC Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
• SMILES: Cc1nonc1C1CCCN1C(=O)Nc1nnc(-c2cccs2)s1
• InChI: InChI=1S/C14H14N6O2S2/c1-8-11(19-22-18-8)9-4-2-6-20(9)14(21)15-13-17-16-12(24-13)10-5-3-7-23-10/h3,5,7,9H,2,4,6H2,1H3,(H,15,17,21)
• InChIKey: LTFDHQACGFQPJW-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?

The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 45232626) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?

The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is Cc1nonc1C1CCCN1C(=O)Nc1nnc(-c2cccs2)s1.

What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?

The InChIKey is LTFDHQACGFQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S2/c1-8-11(19-22-18-8)9-4-2-6-20(9)14(21)15-13-17-16-12(24-13)10-5-3-7-23-10/h3,5,7,9H,2,4,6H2,1H3,(H,15,17,21).

What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 45232626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).