1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C15H19N5OS — CID 110265059

About 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 110265059) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 110265059
• Molecular Formula: C15H19N5OS
• Molecular Weight: 317.42 g/mol
• Exact Mass: 317.13
• IUPAC Name: 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• SMILES: CCc1nnc(Nc2cccc(C3CCCN3C(C)=O)n2)s1
• InChI: InChI=1S/C15H19N5OS/c1-3-14-18-19-15(22-14)17-13-8-4-6-11(16-13)12-7-5-9-20(12)10(2)21/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,17,19)
• InChIKey: JJQIDTBLRYGXQU-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.42
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 110265059) is 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is CCc1nnc(Nc2cccc(C3CCCN3C(C)=O)n2)s1.

What is the InChIKey of 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The InChIKey is JJQIDTBLRYGXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-14-18-19-15(22-14)17-13-8-4-6-11(16-13)12-7-5-9-20(12)10(2)21/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,17,19).

What are the key properties of 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 317.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110265059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).