2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride

C21H22ClN3O3S2 — CID 146063312

IUPAC2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(-c2cn3c(CC(=O)NCCc4cccs4)csc3n2)cc1OC.Cl
InChIInChI=1S/C21H21N3O3S2.ClH/c1-26-18-6-5-14(10-19(18)27-2)17-12-24-15(13-29-21(24)23-17)11-20(25)22-8-7-16-4-3-9-28-16;/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,22,25);1H
InChIKeyRVZNJDWQZSQVHH-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.46
Rot. Bonds8

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

2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride (PubChem CID 146063312) has the molecular formula C21H22ClN3O3S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
PubChem CID146063312
Molecular FormulaC21H22ClN3O3S2
Molecular Weight464.01 g/mol
Exact Mass463.08
IUPAC Name2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
SMILESCOc1ccc(-c2cn3c(CC(=O)NCCc4cccs4)csc3n2)cc1OC.Cl
InChIInChI=1S/C21H21N3O3S2.ClH/c1-26-18-6-5-14(10-19(18)27-2)17-12-24-15(13-29-21(24)23-17)11-20(25)22-8-7-16-4-3-9-28-16;/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,22,25);1H
InChIKeyRVZNJDWQZSQVHH-UHFFFAOYSA-N
XLogP4.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 53122716
N-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063315
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412
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-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53122688
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036884

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride (CID 146063312) is 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride is COc1ccc(-c2cn3c(CC(=O)NCCc4cccs4)csc3n2)cc1OC.Cl.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
The InChIKey is RVZNJDWQZSQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2.ClH/c1-26-18-6-5-14(10-19(18)27-2)17-12-24-15(13-29-21(24)23-17)11-20(25)22-8-7-16-4-3-9-28-16;/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride?
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride has a molecular weight of 464.01 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 146063312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).