2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H25N5O2S — CID 92640621

About 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 92640621) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 92640621
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CN1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1
• InChI: InChI=1S/C20H25N5O2S/c26-18(23-20-21-7-11-28-20)14-24-8-3-4-16(13-24)17-6-5-15(12-22-17)19(27)25-9-1-2-10-25/h5-7,11-12,16H,1-4,8-10,13-14H2,(H,21,23,26)/t16-/m0/s1
• InChIKey: AEADSZSQHJQQKC-INIZCTEOSA-N
• XLogP: 2.59
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 92640621) is 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1.

What is the InChIKey of 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is AEADSZSQHJQQKC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2S/c26-18(23-20-21-7-11-28-20)14-24-8-3-4-16(13-24)17-6-5-15(12-22-17)19(27)25-9-1-2-10-25/h5-7,11-12,16H,1-4,8-10,13-14H2,(H,21,23,26)/t16-/m0/s1.

What are the key properties of 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 92640621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).