N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C26H30N4O2S — CID 121038356

About N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 121038356) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 121038356
• Molecular Formula: C26H30N4O2S
• Molecular Weight: 462.62 g/mol
• Exact Mass: 462.21
• IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(N(CC)CC)cc4C)csc3n2)cc1
• InChI: InChI=1S/C26H30N4O2S/c1-5-29(6-2)20-10-13-23(18(4)14-20)27-25(31)15-21-17-33-26-28-24(16-30(21)26)19-8-11-22(12-9-19)32-7-3/h8-14,16-17H,5-7,15H2,1-4H3,(H,27,31)
• InChIKey: DTQASBHIEGUTJO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.62
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 121038356) is N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(N(CC)CC)cc4C)csc3n2)cc1.

What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The InChIKey is DTQASBHIEGUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-5-29(6-2)20-10-13-23(18(4)14-20)27-25(31)15-21-17-33-26-28-24(16-30(21)26)19-8-11-22(12-9-19)32-7-3/h8-14,16-17H,5-7,15H2,1-4H3,(H,27,31).

What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 121038356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).