[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

C17H20N4O3S — CID 133144911

About [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone

[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 133144911) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
• PubChem CID: 133144911
• Molecular Formula: C17H20N4O3S
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.13
• IUPAC Name: [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
• SMILES: O=C(c1cscn1)N1CC2(CC(CCOc3ncccn3)CCO2)C1
• InChI: InChI=1S/C17H20N4O3S/c22-15(14-9-25-12-20-14)21-10-17(11-21)8-13(3-7-24-17)2-6-23-16-18-4-1-5-19-16/h1,4-5,9,12-13H,2-3,6-8,10-11H2
• InChIKey: WPQDMVMYOJWICA-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 77.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?

The IUPAC name of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 133144911) is [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?

The canonical SMILES for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(CC(CCOc3ncccn3)CCO2)C1.

What is the InChIKey of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?

The InChIKey is WPQDMVMYOJWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-15(14-9-25-12-20-14)21-10-17(11-21)8-13(3-7-24-17)2-6-23-16-18-4-1-5-19-16/h1,4-5,9,12-13H,2-3,6-8,10-11H2.

What are the key properties of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone?

[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 133144911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).