N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C21H28N6O2S — CID 146415358

About N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415358) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 146415358
• Molecular Formula: C21H28N6O2S
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.20
• IUPAC Name: N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)CN(c2cc(C)nc(C)c2)C(=O)N3)s1
• InChI: InChI=1S/C21H28N6O2S/c1-13-9-17(10-14(2)23-13)27-12-21(25-20(27)29)5-7-26(8-6-21)15(3)18-11-22-19(30-18)24-16(4)28/h9-11,15H,5-8,12H2,1-4H3,(H,25,29)(H,22,24,28)/t15-/m0/s1
• InChIKey: BLUUUDHGICCXNE-HNNXBMFYSA-N
• XLogP: 3.24
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 146415358) is N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)CN(c2cc(C)nc(C)c2)C(=O)N3)s1.

What is the InChIKey of N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is BLUUUDHGICCXNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-13-9-17(10-14(2)23-13)27-12-21(25-20(27)29)5-7-26(8-6-21)15(3)18-11-22-19(30-18)24-16(4)28/h9-11,15H,5-8,12H2,1-4H3,(H,25,29)(H,22,24,28)/t15-/m0/s1.

What are the key properties of N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).