1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one

C20H26N4OS — CID 129474806

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

1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 129474806) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one
• PubChem CID: 129474806
• Molecular Formula: C20H26N4OS
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one
• SMILES: CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CCc1ccccn1)CC2
• InChI: InChI=1S/C20H26N4OS/c1-23(15-18-22-10-13-26-18)17-14-20(17)7-11-24(12-8-20)19(25)6-5-16-4-2-3-9-21-16/h2-4,9-10,13,17H,5-8,11-12,14-15H2,1H3/t17-/m1/s1
• InChIKey: GLDAGKCQABHVBJ-QGZVFWFLSA-N
• XLogP: 2.98
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one (CID 129474806) is 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one.

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

The canonical SMILES for 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one is CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CCc1ccccn1)CC2.

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

The InChIKey is GLDAGKCQABHVBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23(15-18-22-10-13-26-18)17-14-20(17)7-11-24(12-8-20)19(25)6-5-16-4-2-3-9-21-16/h2-4,9-10,13,17H,5-8,11-12,14-15H2,1H3/t17-/m1/s1.

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

1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 370.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 129474806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).