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

C17H21N3OS2 — CID 131659854

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

7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131659854) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

• Compound Name: 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
• PubChem CID: 131659854
• Molecular Formula: C17H21N3OS2
• Molecular Weight: 347.51 g/mol
• Exact Mass: 347.11
• IUPAC Name: 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
• SMILES: Cc1ccc(N2CC3(CCN(Cc4csc(C)n4)C3)CC2=O)s1
• InChI: InChI=1S/C17H21N3OS2/c1-12-3-4-16(23-12)20-11-17(7-15(20)21)5-6-19(10-17)8-14-9-22-13(2)18-14/h3-4,9H,5-8,10-11H2,1-2H3
• InChIKey: CMGOKNIKHBNDBO-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.51
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131659854) is 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

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

The canonical SMILES for 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2CC3(CCN(Cc4csc(C)n4)C3)CC2=O)s1.

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

The InChIKey is CMGOKNIKHBNDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-12-3-4-16(23-12)20-11-17(7-15(20)21)5-6-19(10-17)8-14-9-22-13(2)18-14/h3-4,9H,5-8,10-11H2,1-2H3.

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

7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 347.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131659854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).