(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine

C20H27N3O2S — CID 11926003

About (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine (PubChem CID 11926003) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine.

Molecular Properties

• Compound Name: (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
• PubChem CID: 11926003
• Molecular Formula: C20H27N3O2S
• Molecular Weight: 373.52 g/mol
• Exact Mass: 373.18
• IUPAC Name: (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine
• SMILES: COc1cc(/C=N\N2[C@@H](C)CCC[C@@H]2C)ccc1OCc1csc(C)n1
• InChI: InChI=1S/C20H27N3O2S/c1-14-6-5-7-15(2)23(14)21-11-17-8-9-19(20(10-17)24-4)25-12-18-13-26-16(3)22-18/h8-11,13-15H,5-7,12H2,1-4H3/b21-11-/t14-,15-/m0/s1
• InChIKey: ZXLLLTWCORKTJO-OBGWKRSJSA-N
• XLogP: 4.64
• TPSA: 46.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.52
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine?

The IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine (CID 11926003) is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine.

What is the SMILES notation for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine?

The canonical SMILES for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine is COc1cc(/C=N\N2[C@@H](C)CCC[C@@H]2C)ccc1OCc1csc(C)n1.

What is the InChIKey of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine?

The InChIKey is ZXLLLTWCORKTJO-OBGWKRSJSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-6-5-7-15(2)23(14)21-11-17-8-9-19(20(10-17)24-4)25-12-18-13-26-16(3)22-18/h8-11,13-15H,5-7,12H2,1-4H3/b21-11-/t14-,15-/m0/s1.

What are the key properties of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine?

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine has a molecular weight of 373.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanimine is sourced from PubChem (CID 11926003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).