N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide

C₁₄H₁₇N₅O₂S — CID 99602928

About N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide (PubChem CID 99602928) has the molecular formula C₁₄H₁₇N₅O₂S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
• PubChem CID: 99602928
• Molecular Formula: C₁₄H₁₇N₅O₂S
• Molecular Weight: 319.39 g/mol
• Exact Mass: 319.11
• IUPAC Name: N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
• SMILES: Cc1cnc(NC(=O)C(=O)N2CCC[C@H](n3cccn3)C2)s1
• InChI: InChI=1S/C14H17N5O2S/c1-10-8-15-14(22-10)17-12(20)13(21)18-6-2-4-11(9-18)19-7-3-5-16-19/h3,5,7-8,11H,2,4,6,9H2,1H3,(H,15,17,20)/t11-/m0/s1
• InChIKey: UHXWKNLZICQWSA-NSHDSACASA-N
• XLogP: 1.45
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.39
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide?

The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide (CID 99602928) is N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide.

What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide?

The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide is Cc1cnc(NC(=O)C(=O)N2CCC[C@H](n3cccn3)C2)s1.

What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide?

The InChIKey is UHXWKNLZICQWSA-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10-8-15-14(22-10)17-12(20)13(21)18-6-2-4-11(9-18)19-7-3-5-16-19/h3,5,7-8,11H,2,4,6,9H2,1H3,(H,15,17,20)/t11-/m0/s1.

What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide?

N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide is sourced from PubChem (CID 99602928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 99602928 — identifiers, structure, computed properties (public domain)

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