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

C21H28N6O3S — CID 156576448

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

N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 156576448) has the molecular formula C21H28N6O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 156576448
• Molecular Formula: C21H28N6O3S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-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)NC(O)N(Cc2ccc(C)nc2)C3=O)s1
• InChI: InChI=1S/C21H28N6O3S/c1-13-4-5-16(10-22-13)12-27-18(29)21(25-20(27)30)6-8-26(9-7-21)14(2)17-11-23-19(31-17)24-15(3)28/h4-5,10-11,14,20,25,30H,6-9,12H2,1-3H3,(H,23,24,28)/t14-,20?/m1/s1
• InChIKey: SVTQZAZRROKIAH-QMRFKDRMSA-N
• XLogP: 1.61
• TPSA: 110.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 156576448) is N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-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-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-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)NC(O)N(Cc2ccc(C)nc2)C3=O)s1.

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

The InChIKey is SVTQZAZRROKIAH-QMRFKDRMSA-N. The full InChI is InChI=1S/C21H28N6O3S/c1-13-4-5-16(10-22-13)12-27-18(29)21(25-20(27)30)6-8-26(9-7-21)14(2)17-11-23-19(31-17)24-15(3)28/h4-5,10-11,14,20,25,30H,6-9,12H2,1-3H3,(H,23,24,28)/t14-,20?/m1/s1.

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

N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R)-1-[2-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 156576448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).