2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

C₂₀H₂₂N₆O₂S — CID 160562966

About 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (PubChem CID 160562966) has the molecular formula C₂₀H₂₂N₆O₂S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
• PubChem CID: 160562966
• Molecular Formula: C₂₀H₂₂N₆O₂S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.15
• IUPAC Name: 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
• SMILES: Nc1ccc(-c2nccs2)nc1C(=O)Cc1cnccc1N1CC[C@@H](O)[C@H](N)C1
• InChI: InChI=1S/C20H22N6O2S/c21-13-1-2-15(20-24-6-8-29-20)25-19(13)18(28)9-12-10-23-5-3-16(12)26-7-4-17(27)14(22)11-26/h1-3,5-6,8,10,14,17,27H,4,7,9,11,21-22H2/t14-,17-/m1/s1
• InChIKey: QZODRWGUYXXFJF-RHSMWYFYSA-N
• XLogP: 1.51
• TPSA: 131.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (CID 160562966) is 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?

The canonical SMILES for 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is Nc1ccc(-c2nccs2)nc1C(=O)Cc1cnccc1N1CC[C@@H](O)[C@H](N)C1.

What is the InChIKey of 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?

The InChIKey is QZODRWGUYXXFJF-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c21-13-1-2-15(20-24-6-8-29-20)25-19(13)18(28)9-12-10-23-5-3-16(12)26-7-4-17(27)14(22)11-26/h1-3,5-6,8,10,14,17,27H,4,7,9,11,21-22H2/t14-,17-/m1/s1.

What are the key properties of 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?

2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone has a molecular weight of 410.50 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 160562966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160562966 — identifiers, structure, computed properties (public domain)

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