Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C₂₁H₂₉N₅O₂S — CID 132778578

About Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132778578) has the molecular formula C₂₁H₂₉N₅O₂S and a molecular weight of 415.56 g/mol. Its IUPAC name is morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 132778578
• Molecular Formula: C₂₁H₂₉N₅O₂S
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.20
• IUPAC Name: morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4COCCN4)CC3)n2)s1
• InChI: InChI=1S/C21H29N5O2S/c1-2-4-16-13-23-21(29-16)25-19-6-3-5-17(24-19)15-7-10-26(11-8-15)20(27)18-14-28-12-9-22-18/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,23,24,25)
• InChIKey: PKIKKUPKPRTMKH-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 132778578) is morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4COCCN4)CC3)n2)s1.

What is the InChIKey of Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is PKIKKUPKPRTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-2-4-16-13-23-21(29-16)25-19-6-3-5-17(24-19)15-7-10-26(11-8-15)20(27)18-14-28-12-9-22-18/h3,5-6,13,15,18,22H,2,4,7-12,14H2,1H3,(H,23,24,25).

What are the key properties of Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 415.56 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132778578 — identifiers, structure, computed properties (public domain)

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