N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide

C24H32N4O3S2 — CID 59962049

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide (PubChem CID 59962049) has the molecular formula C24H32N4O3S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide
• PubChem CID: 59962049
• Molecular Formula: C24H32N4O3S2
• Molecular Weight: 488.68 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide
• SMILES: CC(C)(O)CNCc1cccc(CC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1
• InChI: InChI=1S/C24H32N4O3S2/c1-23(2,3)18-12-26-20(31-18)14-32-21-13-27-22(33-21)28-19(29)10-16-7-6-8-17(9-16)11-25-15-24(4,5)30/h6-9,12-13,25,30H,10-11,14-15H2,1-5H3,(H,27,28,29)
• InChIKey: DBFWGVAALRIAFR-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.68
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide?

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide (CID 59962049) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide.

What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide?

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide is CC(C)(O)CNCc1cccc(CC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1.

What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide?

The InChIKey is DBFWGVAALRIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S2/c1-23(2,3)18-12-26-20(31-18)14-32-21-13-27-22(33-21)28-19(29)10-16-7-6-8-17(9-16)11-25-15-24(4,5)30/h6-9,12-13,25,30H,10-11,14-15H2,1-5H3,(H,27,28,29).

What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide has a molecular weight of 488.68 g/mol, XLogP of 4.76, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 59962049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).