2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C25H27N3O6S — CID 53122716

IUPAC2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)NCc4cc(OC)c(OC)c(OC)c4)csc3n2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-30-19-7-6-16(10-20(19)31-2)18-13-28-17(14-35-25(28)27-18)11-23(29)26-12-15-8-21(32-3)24(34-5)22(9-15)33-4/h6-10,13-14H,11-12H2,1-5H3,(H,26,29)
InChIKeyPXRAOOKPOHHTBK-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.96
Rot. Bonds10

About 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 53122716) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID53122716
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(-c2cn3c(CC(=O)NCc4cc(OC)c(OC)c(OC)c4)csc3n2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-30-19-7-6-16(10-20(19)31-2)18-13-28-17(14-35-25(28)27-18)11-23(29)26-12-15-8-21(32-3)24(34-5)22(9-15)33-4/h6-10,13-14H,11-12H2,1-5H3,(H,26,29)
InChIKeyPXRAOOKPOHHTBK-UHFFFAOYSA-N
XLogP3.96
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 146063312
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
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
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
CID 53036884
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509410
N-benzyl-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063355
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-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063315
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 53122716) is 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1ccc(-c2cn3c(CC(=O)NCc4cc(OC)c(OC)c(OC)c4)csc3n2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is PXRAOOKPOHHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-30-19-7-6-16(10-20(19)31-2)18-13-28-17(14-35-25(28)27-18)11-23(29)26-12-15-8-21(32-3)24(34-5)22(9-15)33-4/h6-10,13-14H,11-12H2,1-5H3,(H,26,29).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 497.57 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).