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

C18H23N5OS — CID 118743898

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

7-(5-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118743898) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 7-(5-ethylpyrimidin-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-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
• PubChem CID: 118743898
• Molecular Formula: C18H23N5OS
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.16
• IUPAC Name: 7-(5-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
• SMILES: CCc1cnc(N2CCC3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1
• InChI: InChI=1S/C18H23N5OS/c1-3-14-7-19-17(20-8-14)22-5-4-18(11-22)6-16(24)23(12-18)9-15-10-25-13(2)21-15/h7-8,10H,3-6,9,11-12H2,1-2H3
• InChIKey: TXAPOFLTJJBTLR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 62.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethylpyrimidin-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-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 118743898) is 7-(5-ethylpyrimidin-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-ethylpyrimidin-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-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is CCc1cnc(N2CCC3(CC(=O)N(Cc4csc(C)n4)C3)C2)nc1.

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

The InChIKey is TXAPOFLTJJBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-3-14-7-19-17(20-8-14)22-5-4-18(11-22)6-16(24)23(12-18)9-15-10-25-13(2)21-15/h7-8,10H,3-6,9,11-12H2,1-2H3.

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

7-(5-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 357.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118743898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).