2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone

C15H24N4OS — CID 97472556

About 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone

2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone (PubChem CID 97472556) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
• PubChem CID: 97472556
• Molecular Formula: C15H24N4OS
• Molecular Weight: 308.45 g/mol
• Exact Mass: 308.17
• IUPAC Name: 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
• SMILES: Cc1nc(CN2CCC3(C2)CN(C(=O)CN(C)C)C3)cs1
• InChI: InChI=1S/C15H24N4OS/c1-12-16-13(8-21-12)6-18-5-4-15(9-18)10-19(11-15)14(20)7-17(2)3/h8H,4-7,9-11H2,1-3H3
• InChIKey: LCRZUXMNHMFLKR-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 39.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.45
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone (CID 97472556) is 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone is Cc1nc(CN2CCC3(C2)CN(C(=O)CN(C)C)C3)cs1.

What is the InChIKey of 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone?

The InChIKey is LCRZUXMNHMFLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12-16-13(8-21-12)6-18-5-4-15(9-18)10-19(11-15)14(20)7-17(2)3/h8H,4-7,9-11H2,1-3H3.

What are the key properties of 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone?

2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 308.45 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 97472556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).