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

C23H24ClN3OS — CID 146063334

IUPAC2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)NCCc4ccccc4)csc3n2)cc1C.Cl
InChIInChI=1S/C23H23N3OS.ClH/c1-16-8-9-19(12-17(16)2)21-14-26-20(15-28-23(26)25-21)13-22(27)24-11-10-18-6-4-3-5-7-18;/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,27);1H
InChIKeyHJXJFGDLTWWUAO-UHFFFAOYSA-N
MW425.99 g/mol
LogP5.00
Rot. Bonds6

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

2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 146063334) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID146063334
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCc1ccc(-c2cn3c(CC(=O)NCCc4ccccc4)csc3n2)cc1C.Cl
InChIInChI=1S/C23H23N3OS.ClH/c1-16-8-9-19(12-17(16)2)21-14-26-20(15-28-23(26)25-21)13-22(27)24-11-10-18-6-4-3-5-7-18;/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,27);1H
InChIKeyHJXJFGDLTWWUAO-UHFFFAOYSA-N
XLogP5.00
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.00
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;hydrochloride
CID 146063355
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
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
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride (CID 146063334) is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride is Cc1ccc(-c2cn3c(CC(=O)NCCc4ccccc4)csc3n2)cc1C.Cl.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is HJXJFGDLTWWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS.ClH/c1-16-8-9-19(12-17(16)2)21-14-26-20(15-28-23(26)25-21)13-22(27)24-11-10-18-6-4-3-5-7-18;/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,27);1H.
What are the key properties of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride?
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 425.99 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 146063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).