N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide

C24H27ClN4O2S — CID 24594996

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide (PubChem CID 24594996) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
• PubChem CID: 24594996
• Molecular Formula: C24H27ClN4O2S
• Molecular Weight: 471.03 g/mol
• Exact Mass: 470.15
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
• SMILES: CN(CC(=O)Nc1ncc(Cc2ccccc2Cl)s1)Cc1ccccc1N1CCOCC1
• InChI: InChI=1S/C24H27ClN4O2S/c1-28(16-19-7-3-5-9-22(19)29-10-12-31-13-11-29)17-23(30)27-24-26-15-20(32-24)14-18-6-2-4-8-21(18)25/h2-9,15H,10-14,16-17H2,1H3,(H,26,27,30)
• InChIKey: KUDICYKFYDLLFP-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.03
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide (CID 24594996) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide is CN(CC(=O)Nc1ncc(Cc2ccccc2Cl)s1)Cc1ccccc1N1CCOCC1.

What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide?

The InChIKey is KUDICYKFYDLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c1-28(16-19-7-3-5-9-22(19)29-10-12-31-13-11-29)17-23(30)27-24-26-15-20(32-24)14-18-6-2-4-8-21(18)25/h2-9,15H,10-14,16-17H2,1H3,(H,26,27,30).

What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide?

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide has a molecular weight of 471.03 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 24594996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).