(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C17H23N5OS — CID 129476502

About (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129476502) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 129476502
• Molecular Formula: C17H23N5OS
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.16
• IUPAC Name: (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
• SMILES: COc1ccnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1
• InChI: InChI=1S/C17H23N5OS/c1-21(12-15-18-7-10-24-15)13-11-17(13)4-8-22(9-5-17)16-19-6-3-14(20-16)23-2/h3,6-7,10,13H,4-5,8-9,11-12H2,1-2H3/t13-/m0/s1
• InChIKey: QNRPEZAJEJJYOI-ZDUSSCGKSA-N
• XLogP: 2.43
• TPSA: 54.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129476502) is (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is COc1ccnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1.

What is the InChIKey of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?

The InChIKey is QNRPEZAJEJJYOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21(12-15-18-7-10-24-15)13-11-17(13)4-8-22(9-5-17)16-19-6-3-14(20-16)23-2/h3,6-7,10,13H,4-5,8-9,11-12H2,1-2H3/t13-/m0/s1.

What are the key properties of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?

(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 345.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).