N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride

C22H22ClN3OS — CID 146063355

IUPACN-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1C.Cl
InChIInChI=1S/C22H21N3OS.ClH/c1-15-8-9-18(10-16(15)2)20-13-25-19(14-27-22(25)24-20)11-21(26)23-12-17-6-4-3-5-7-17;/h3-10,13-14H,11-12H2,1-2H3,(H,23,26);1H
InChIKeyWORVGFHHSKIQRG-UHFFFAOYSA-N
MW411.96 g/mol
LogP4.96
Rot. Bonds5

About N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride

N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride (PubChem CID 146063355) has the molecular formula C22H22ClN3OS and a molecular weight of 411.96 g/mol. Its IUPAC name is N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
PubChem CID146063355
Molecular FormulaC22H22ClN3OS
Molecular Weight411.96 g/mol
Exact Mass411.12
IUPAC NameN-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1C.Cl
InChIInChI=1S/C22H21N3OS.ClH/c1-15-8-9-18(10-16(15)2)20-13-25-19(14-27-22(25)24-20)11-21(26)23-12-17-6-4-3-5-7-17;/h3-10,13-14H,11-12H2,1-2H3,(H,23,26);1H
InChIKeyWORVGFHHSKIQRG-UHFFFAOYSA-N
XLogP4.96
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-cyclohexyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063321
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 146063351
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 53122716
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 17485366
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509410

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride (CID 146063355) is N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride is Cc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1C.Cl.
What is the InChIKey of N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
The InChIKey is WORVGFHHSKIQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS.ClH/c1-15-8-9-18(10-16(15)2)20-13-25-19(14-27-22(25)24-20)11-21(26)23-12-17-6-4-3-5-7-17;/h3-10,13-14H,11-12H2,1-2H3,(H,23,26);1H.
What are the key properties of N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride?
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 4.96, 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-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 146063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).