(Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine

C17H24N4S — CID 9194555

About (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine

(Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine (PubChem CID 9194555) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine.

Molecular Properties

• Compound Name: (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine
• PubChem CID: 9194555
• Molecular Formula: C17H24N4S
• Molecular Weight: 316.47 g/mol
• Exact Mass: 316.17
• IUPAC Name: (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine
• SMILES: Cc1cc(/C=N\N2[C@H](C)CCC[C@H]2C)c(C)n1-c1nccs1
• InChI: InChI=1S/C17H24N4S/c1-12-6-5-7-13(2)21(12)19-11-16-10-14(3)20(15(16)4)17-18-8-9-22-17/h8-13H,5-7H2,1-4H3/b19-11-/t12-,13-/m1/s1
• InChIKey: INPYUUMJOOKRER-KTWZHHEHSA-N
• XLogP: 4.15
• TPSA: 33.42 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.47
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine?

The IUPAC name of (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine (CID 9194555) is (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine.

What is the SMILES notation for (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine?

The canonical SMILES for (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine is Cc1cc(/C=N\N2[C@H](C)CCC[C@H]2C)c(C)n1-c1nccs1.

What is the InChIKey of (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine?

The InChIKey is INPYUUMJOOKRER-KTWZHHEHSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-6-5-7-13(2)21(12)19-11-16-10-14(3)20(15(16)4)17-18-8-9-22-17/h8-13H,5-7H2,1-4H3/b19-11-/t12-,13-/m1/s1.

What are the key properties of (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine?

(Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine has a molecular weight of 316.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine is sourced from PubChem (CID 9194555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).