N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C20H16BrN3OS — CID 53036901

IUPACN-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESO=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccccc1
InChIInChI=1S/C20H16BrN3OS/c21-16-8-4-7-15(9-16)18-12-24-17(13-26-20(24)23-18)10-19(25)22-11-14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,22,25)
InChIKeyHBCNGUVEPBBXPC-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.68
Rot. Bonds5

About N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 53036901) has the molecular formula C20H16BrN3OS and a molecular weight of 426.34 g/mol. Its IUPAC name is N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID53036901
Molecular FormulaC20H16BrN3OS
Molecular Weight426.34 g/mol
Exact Mass425.02
IUPAC NameN-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESO=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccccc1
InChIInChI=1S/C20H16BrN3OS/c21-16-8-4-7-15(9-16)18-12-24-17(13-26-20(24)23-18)10-19(25)22-11-14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,22,25)
InChIKeyHBCNGUVEPBBXPC-UHFFFAOYSA-N
XLogP4.68
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[6-(3-bromophenyl)imidazo[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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 53036901) is N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is HBCNGUVEPBBXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3OS/c21-16-8-4-7-15(9-16)18-12-24-17(13-26-20(24)23-18)10-19(25)22-11-14-5-2-1-3-6-14/h1-9,12-13H,10-11H2,(H,22,25).
What are the key properties of N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 426.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 53036901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).