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

C20H26N2O2S — CID 124819367

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

(8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124819367) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124819367
• Molecular Formula: C20H26N2O2S
• Molecular Weight: 358.51 g/mol
• Exact Mass: 358.17
• IUPAC Name: (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1nc(CO[C@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)cs1
• InChI: InChI=1S/C20H26N2O2S/c1-15-5-3-4-6-17(15)10-22-13-20(14-22)9-19(7-8-24-20)23-11-18-12-25-16(2)21-18/h3-6,12,19H,7-11,13-14H2,1-2H3/t19-/m0/s1
• InChIKey: FMEHJMWTWHMPCS-IBGZPJMESA-N
• XLogP: 3.71
• TPSA: 34.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (CID 124819367) is (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

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

The canonical SMILES for (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is Cc1nc(CO[C@H]2CCOC3(C2)CN(Cc2ccccc2C)C3)cs1.

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

The InChIKey is FMEHJMWTWHMPCS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-5-3-4-6-17(15)10-22-13-20(14-22)9-19(7-8-24-20)23-11-18-12-25-16(2)21-18/h3-6,12,19H,7-11,13-14H2,1-2H3/t19-/m0/s1.

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

(8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 358.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(2-methylphenyl)methyl]-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124819367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).