1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone

C23H21N3O3S — CID 53122659

IUPAC1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1OC
InChIInChI=1S/C23H21N3O3S/c1-28-20-8-7-16(11-21(20)29-2)18-13-26-17(14-30-23(26)24-18)12-22(27)25-10-9-15-5-3-4-6-19(15)25/h3-8,11,13-14H,9-10,12H2,1-2H3
InChIKeyFLAAWKNMRUYQOL-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.21
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (PubChem CID 53122659) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
PubChem CID53122659
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1OC
InChIInChI=1S/C23H21N3O3S/c1-28-20-8-7-16(11-21(20)29-2)18-13-26-17(14-30-23(26)24-18)12-22(27)25-10-9-15-5-3-4-6-19(15)25/h3-8,11,13-14H,9-10,12H2,1-2H3
InChIKeyFLAAWKNMRUYQOL-UHFFFAOYSA-N
XLogP4.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 53122668
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 121038624
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 55461597
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
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-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 146063312
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945
N-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063315
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (CID 53122659) is 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is COc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1OC.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The InChIKey is FLAAWKNMRUYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-20-8-7-16(11-21(20)29-2)18-13-26-17(14-30-23(26)24-18)12-22(27)25-10-9-15-5-3-4-6-19(15)25/h3-8,11,13-14H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone has a molecular weight of 419.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is sourced from PubChem (CID 53122659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).