7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C17H21N5OS — CID 118743896

About 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118743896) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

• Compound Name: 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
• PubChem CID: 118743896
• Molecular Formula: C17H21N5OS
• Molecular Weight: 343.46 g/mol
• Exact Mass: 343.15
• IUPAC Name: 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
• SMILES: Cc1cnc(N2CCC3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1
• InChI: InChI=1S/C17H21N5OS/c1-12-6-18-16(19-7-12)21-4-3-17(10-21)5-15(23)22(11-17)8-14-9-24-13(2)20-14/h6-7,9H,3-5,8,10-11H2,1-2H3
• InChIKey: YLGUZOCRFVXJKM-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 62.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.46
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?

The IUPAC name of 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 118743896) is 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

What is the SMILES notation for 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?

The canonical SMILES for 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1cnc(N2CCC3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1.

What is the InChIKey of 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?

The InChIKey is YLGUZOCRFVXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-6-18-16(19-7-12)21-4-3-17(10-21)5-15(23)22(11-17)8-14-9-24-13(2)20-14/h6-7,9H,3-5,8,10-11H2,1-2H3.

What are the key properties of 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?

7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 343.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118743896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).