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

C19H25N3O2S — CID 124913797

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

(8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913797) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124913797
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2nc(C)cs2)C3)c1
• InChI: InChI=1S/C19H25N3O2S/c1-14-5-16(8-20-7-14)10-23-17-3-4-24-19(6-17)12-22(13-19)9-18-21-15(2)11-25-18/h5,7-8,11,17H,3-4,6,9-10,12-13H2,1-2H3/t17-/m0/s1
• InChIKey: PKMGJVVCCGDPNR-KRWDZBQOSA-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 (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124913797) is (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane.

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

The canonical SMILES for (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(CO[C@H]2CCOC3(C2)CN(Cc2nc(C)cs2)C3)c1.

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

The InChIKey is PKMGJVVCCGDPNR-KRWDZBQOSA-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)12-22(13-19)9-18-21-15(2)11-25-18/h5,7-8,11,17H,3-4,6,9-10,12-13H2,1-2H3/t17-/m0/s1.

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

(8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-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 (8S)-8-[(5-methyl-3-pyridinyl)methoxy]-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).