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

C16H21N5O2S — CID 124966605

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

1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 124966605) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
• PubChem CID: 124966605
• Molecular Formula: C16H21N5O2S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.14
• IUPAC Name: 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
• SMILES: CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)COC)n2)s1
• InChI: InChI=1S/C16H21N5O2S/c1-3-14-19-20-16(24-14)18-13-8-4-6-11(17-13)12-7-5-9-21(12)15(22)10-23-2/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,17,18,20)/t12-/m1/s1
• InChIKey: INAPEAXCYIOZHE-GFCCVEGCSA-N
• XLogP: 2.55
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone (CID 124966605) is 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone.

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

The canonical SMILES for 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone is CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)COC)n2)s1.

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

The InChIKey is INAPEAXCYIOZHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-3-14-19-20-16(24-14)18-13-8-4-6-11(17-13)12-7-5-9-21(12)15(22)10-23-2/h4,6,8,12H,3,5,7,9-10H2,1-2H3,(H,17,18,20)/t12-/m1/s1.

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

1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 347.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 124966605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).