2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole

C19H26N4OS — CID 124814501

About 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole

2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole (PubChem CID 124814501) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
• PubChem CID: 124814501
• Molecular Formula: C19H26N4OS
• Molecular Weight: 358.51 g/mol
• Exact Mass: 358.18
• IUPAC Name: 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
• SMILES: CN1C[C@@H](COCc2ccccn2)[C@@]2(CCN(Cc3nccs3)C2)C1
• InChI: InChI=1S/C19H26N4OS/c1-22-10-16(12-24-13-17-4-2-3-6-20-17)19(14-22)5-8-23(15-19)11-18-21-7-9-25-18/h2-4,6-7,9,16H,5,8,10-15H2,1H3/t16-,19-/m0/s1
• InChIKey: VOYLJTXXTCIAIC-LPHOPBHVSA-N
• XLogP: 2.51
• TPSA: 41.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.51
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole?

The IUPAC name of 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole (CID 124814501) is 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole.

What is the SMILES notation for 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole?

The canonical SMILES for 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole is CN1C[C@@H](COCc2ccccn2)[C@@]2(CCN(Cc3nccs3)C2)C1.

What is the InChIKey of 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole?

The InChIKey is VOYLJTXXTCIAIC-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22-10-16(12-24-13-17-4-2-3-6-20-17)19(14-22)5-8-23(15-19)11-18-21-7-9-25-18/h2-4,6-7,9,16H,5,8,10-15H2,1H3/t16-,19-/m0/s1.

What are the key properties of 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole?

2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole has a molecular weight of 358.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124814501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).