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

C25H28N4O2S — CID 121038619

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

N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 121038619) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 121038619
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: CCN(CC)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(OC)cc4)cn23)c(C)c1
• InChI: InChI=1S/C25H28N4O2S/c1-5-28(6-2)19-9-12-22(17(3)13-19)26-24(30)14-20-16-32-25-27-23(15-29(20)25)18-7-10-21(31-4)11-8-18/h7-13,15-16H,5-6,14H2,1-4H3,(H,26,30)
• InChIKey: DBERSPYSFJZQCA-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	5.41
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-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 121038619) is N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

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

The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCN(CC)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(OC)cc4)cn23)c(C)c1.

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

The InChIKey is DBERSPYSFJZQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-5-28(6-2)19-9-12-22(17(3)13-19)26-24(30)14-20-16-32-25-27-23(15-29(20)25)18-7-10-21(31-4)11-8-18/h7-13,15-16H,5-6,14H2,1-4H3,(H,26,30).

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

N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 448.59 g/mol, XLogP of 5.41, 8 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-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 121038619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).