4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C24H33N5O4S — CID 1029904

About 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 1029904) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
• PubChem CID: 1029904
• Molecular Formula: C24H33N5O4S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.23
• IUPAC Name: 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
• SMILES: Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCCN3CCOCC3)cs2)C(C)C)cc1
• InChI: InChI=1S/C24H33N5O4S/c1-17(2)29(23(32)19-6-4-18(3)5-7-19)15-22(31)27-24-26-20(16-34-24)14-21(30)25-8-9-28-10-12-33-13-11-28/h4-7,16-17H,8-15H2,1-3H3,(H,25,30)(H,26,27,31)
• InChIKey: CGZZROLIRFYQGS-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The IUPAC name of 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 1029904) is 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCCN3CCOCC3)cs2)C(C)C)cc1.

What is the InChIKey of 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The InChIKey is CGZZROLIRFYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-17(2)29(23(32)19-6-4-18(3)5-7-19)15-22(31)27-24-26-20(16-34-24)14-21(30)25-8-9-28-10-12-33-13-11-28/h4-7,16-17H,8-15H2,1-3H3,(H,25,30)(H,26,27,31).

What are the key properties of 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 487.63 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1029904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).