1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone

C23H21N3OS — CID 55461597

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C23H21N3OS/c1-16-9-10-21-18(12-16)8-5-11-25(21)22(27)13-19-15-28-23-24-20(14-26(19)23)17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14-15H,5,8,11,13H2,1H3
InChIKeyKASAZVNYQGUDAP-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.89
Rot. Bonds3

About 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone (PubChem CID 55461597) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
PubChem CID55461597
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C23H21N3OS/c1-16-9-10-21-18(12-16)8-5-11-25(21)22(27)13-19-15-28-23-24-20(14-26(19)23)17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14-15H,5,8,11,13H2,1H3
InChIKeyKASAZVNYQGUDAP-UHFFFAOYSA-N
XLogP4.89
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 53122668
1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 53122659
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 121031494
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30940141
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone (CID 55461597) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone is Cc1ccc2c(c1)CCCN2C(=O)Cc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone?
The InChIKey is KASAZVNYQGUDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-9-10-21-18(12-16)8-5-11-25(21)22(27)13-19-15-28-23-24-20(14-26(19)23)17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14-15H,5,8,11,13H2,1H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone has a molecular weight of 387.51 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethanone is sourced from PubChem (CID 55461597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).