[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone

C16H20N4O2S — CID 129476911

About [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone

[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 129476911) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone
• PubChem CID: 129476911
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone
• SMILES: CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccon1)CC2
• InChI: InChI=1S/C16H20N4O2S/c1-19(11-14-17-5-9-23-14)13-10-16(13)3-6-20(7-4-16)15(21)12-2-8-22-18-12/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3/t13-/m1/s1
• InChIKey: WXUAHQHUOHUYLL-CYBMUJFWSA-N
• XLogP: 2.26
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone?

The IUPAC name of [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone (CID 129476911) is [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone?

The canonical SMILES for [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone is CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccon1)CC2.

What is the InChIKey of [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone?

The InChIKey is WXUAHQHUOHUYLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(11-14-17-5-9-23-14)13-10-16(13)3-6-20(7-4-16)15(21)12-2-8-22-18-12/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3/t13-/m1/s1.

What are the key properties of [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone?

[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 129476911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).