(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C16H20N4O2S — CID 124803732

About (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124803732) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124803732
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1csc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)n1
• InChI: InChI=1S/C16H20N4O2S/c1-12-9-23-15(19-12)8-20-10-16(11-20)6-13(2-5-21-16)22-14-7-17-3-4-18-14/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3/t13-/m0/s1
• InChIKey: QNVQRBHHJVGRBC-ZDUSSCGKSA-N
• XLogP: 2.05
• TPSA: 60.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124803732) is (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1csc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)n1.

What is the InChIKey of (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is QNVQRBHHJVGRBC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-9-23-15(19-12)8-20-10-16(11-20)6-13(2-5-21-16)22-14-7-17-3-4-18-14/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3/t13-/m0/s1.

What are the key properties of (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?

(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 332.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124803732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).