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

C24H33N5O2S2 — CID 59913244

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]acetamide (PubChem CID 59913244) has the molecular formula C24H33N5O2S2 and a molecular weight of 487.70 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-(dimethylamino)ethylamino]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-(dimethylamino)ethylamino]methyl]phenyl]acetamide
• PubChem CID: 59913244
• Molecular Formula: C24H33N5O2S2
• Molecular Weight: 487.70 g/mol
• Exact Mass: 487.21
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]acetamide
• SMILES: CN(C)CCNCc1cccc(CC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1
• InChI: InChI=1S/C24H33N5O2S2/c1-24(2,3)19-14-26-21(31-19)16-32-22-15-27-23(33-22)28-20(30)12-17-7-6-8-18(11-17)13-25-9-10-29(4)5/h6-8,11,14-15,25H,9-10,12-13,16H2,1-5H3,(H,27,28,30)
• InChIKey: XLGBBDHOLVEWFJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.70
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-(dimethylamino)ethylamino]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-(dimethylamino)ethylamino]methyl]phenyl]acetamide (CID 59913244) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[2-(dimethylamino)ethylamino]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-(dimethylamino)ethylamino]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-(dimethylamino)ethylamino]methyl]phenyl]acetamide is CN(C)CCNCc1cccc(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-(dimethylamino)ethylamino]methyl]phenyl]acetamide?

The InChIKey is XLGBBDHOLVEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2S2/c1-24(2,3)19-14-26-21(31-19)16-32-22-15-27-23(33-22)28-20(30)12-17-7-6-8-18(11-17)13-25-9-10-29(4)5/h6-8,11,14-15,25H,9-10,12-13,16H2,1-5H3,(H,27,28,30).

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-(dimethylamino)ethylamino]methyl]phenyl]acetamide?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]acetamide has a molecular weight of 487.70 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 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-(dimethylamino)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 59913244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).