2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H26N6O3S — CID 60505092

About 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 60505092) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 60505092
• Molecular Formula: C18H26N6O3S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.18
• IUPAC Name: 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: CCc1nc(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)sc1C
• InChI: InChI=1S/C18H26N6O3S/c1-4-14-13(3)28-18(19-14)21-17(26)11-24-7-5-23(6-8-24)10-16(25)20-15-9-12(2)27-22-15/h9H,4-8,10-11H2,1-3H3,(H,19,21,26)(H,20,22,25)
• InChIKey: OWXOTXJVRKXNKX-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 103.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 60505092) is 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1nc(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)sc1C.

What is the InChIKey of 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is OWXOTXJVRKXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-4-14-13(3)28-18(19-14)21-17(26)11-24-7-5-23(6-8-24)10-16(25)20-15-9-12(2)27-22-15/h9H,4-8,10-11H2,1-3H3,(H,19,21,26)(H,20,22,25).

What are the key properties of 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 406.51 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 60505092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).