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

C23H24F2N4O2S — CID 24594995

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

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide (PubChem CID 24594995) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
• PubChem CID: 24594995
• Molecular Formula: C23H24F2N4O2S
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.16
• IUPAC Name: N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
• SMILES: CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)Cc1ccccc1N1CCOCC1
• InChI: InChI=1S/C23H24F2N4O2S/c1-28(13-16-4-2-3-5-21(16)29-8-10-31-11-9-29)14-22(30)27-23-26-20(15-32-23)18-12-17(24)6-7-19(18)25/h2-7,12,15H,8-11,13-14H2,1H3,(H,26,27,30)
• InChIKey: ULWLWDMLHUFYEQ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide (CID 24594995) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide.

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

The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide is CN(CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1)Cc1ccccc1N1CCOCC1.

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

The InChIKey is ULWLWDMLHUFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-28(13-16-4-2-3-5-21(16)29-8-10-31-11-9-29)14-22(30)27-23-26-20(15-32-23)18-12-17(24)6-7-19(18)25/h2-7,12,15H,8-11,13-14H2,1H3,(H,26,27,30).

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

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide has a molecular weight of 458.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 24594995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).