N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C21H17N3O3S — CID 7522419

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H17N3O3S/c25-20(22-10-14-6-7-18-19(8-14)27-13-26-18)9-16-12-28-21-23-17(11-24(16)21)15-4-2-1-3-5-15/h1-8,11-12H,9-10,13H2,(H,22,25)
InChIKeyTWVUQJDFQZZTGI-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.65
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 7522419) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID7522419
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C21H17N3O3S/c25-20(22-10-14-6-7-18-19(8-14)27-13-26-18)9-16-12-28-21-23-17(11-24(16)21)15-4-2-1-3-5-15/h1-8,11-12H,9-10,13H2,(H,22,25)
InChIKeyTWVUQJDFQZZTGI-UHFFFAOYSA-N
XLogP3.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)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

N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939987
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 39724030
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1265699
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 17485366
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 4779906
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53036840
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34277605

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 7522419) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is TWVUQJDFQZZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-20(22-10-14-6-7-18-19(8-14)27-13-26-18)9-16-12-28-21-23-17(11-24(16)21)15-4-2-1-3-5-15/h1-8,11-12H,9-10,13H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 7522419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).