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

C24H25N3O2S — CID 121038383

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C24H25N3O2S/c1-2-29-21-12-10-19(11-13-21)22-16-27-20(17-30-24(27)26-22)15-23(28)25-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17H,2,6,9,14-15H2,1H3,(H,25,28)
InChIKeyGTAHZPOWDMQMAK-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.75
Rot. Bonds9

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 121038383) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
PubChem CID121038383
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCCc4ccccc4)csc3n2)cc1
InChIInChI=1S/C24H25N3O2S/c1-2-29-21-12-10-19(11-13-21)22-16-27-20(17-30-24(27)26-22)15-23(28)25-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17H,2,6,9,14-15H2,1H3,(H,25,28)
InChIKeyGTAHZPOWDMQMAK-UHFFFAOYSA-N
XLogP4.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121038447
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121038440
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 29044246
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385
N-[1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 42928562
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
CID 121038352

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide (CID 121038383) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCCCc4ccccc4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is GTAHZPOWDMQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-2-29-21-12-10-19(11-13-21)22-16-27-20(17-30-24(27)26-22)15-23(28)25-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17H,2,6,9,14-15H2,1H3,(H,25,28).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 121038383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).