8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane

C19H25N3O2S — CID 131653415

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

8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131653415) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 131653415
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cncc(COC2CCOC3(C2)CN(Cc2scnc2C)C3)c1
• InChI: InChI=1S/C19H25N3O2S/c1-14-5-16(8-20-7-14)10-23-17-3-4-24-19(6-17)11-22(12-19)9-18-15(2)21-13-25-18/h5,7-8,13,17H,3-4,6,9-12H2,1-2H3
• InChIKey: DIFXCEVZYDPCBE-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 47.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (CID 131653415) is 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

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

The canonical SMILES for 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(COC2CCOC3(C2)CN(Cc2scnc2C)C3)c1.

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

The InChIKey is DIFXCEVZYDPCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-5-16(8-20-7-14)10-23-17-3-4-24-19(6-17)11-22(12-19)9-18-15(2)21-13-25-18/h5,7-8,13,17H,3-4,6,9-12H2,1-2H3.

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

8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 359.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131653415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).