N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C18H23ClN3O2S+ — CID 2239669

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 2239669) has the molecular formula C18H23ClN3O2S+ and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
• PubChem CID: 2239669
• Molecular Formula: C18H23ClN3O2S+
• Molecular Weight: 380.92 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
• SMILES: C[C@@H]1C[NH+](CC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C[C@@H](C)O1
• InChI: InChI=1S/C18H22ClN3O2S/c1-12-9-22(10-13(2)24-12)11-17(23)21-18-20-8-16(25-18)7-14-4-3-5-15(19)6-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,21,23)/p+1/t12-,13-/m1/s1
• InChIKey: GUEVRNQVDIPRBY-CHWSQXEVSA-O
• XLogP: 2.02
• TPSA: 55.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.92
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?

The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 2239669) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?

The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C[C@@H](C)O1.

What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?

The InChIKey is GUEVRNQVDIPRBY-CHWSQXEVSA-O. The full InChI is InChI=1S/C18H22ClN3O2S/c1-12-9-22(10-13(2)24-12)11-17(23)21-18-20-8-16(25-18)7-14-4-3-5-15(19)6-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,21,23)/p+1/t12-,13-/m1/s1.

What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 380.92 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 2239669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).