1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone

C24H28N6OS — CID 92581522

IUPAC1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1
InChIInChI=1S/C24H28N6OS/c1-17(2)22-25-10-12-29(22)16-20(31)28-11-6-7-18(15-28)21-23-30(13-14-32-23)24(27-21)26-19-8-4-3-5-9-19/h3-5,8-10,12-14,17-18H,6-7,11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1
InChIKeyPOCNBKPBKJCZFC-GOSISDBHSA-N
MW448.60 g/mol
LogP4.87
Rot. Bonds6

About 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone

1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone (PubChem CID 92581522) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone
PubChem CID92581522
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC Name1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1
InChIInChI=1S/C24H28N6OS/c1-17(2)22-25-10-12-29(22)16-20(31)28-11-6-7-18(15-28)21-23-30(13-14-32-23)24(27-21)26-19-8-4-3-5-9-19/h3-5,8-10,12-14,17-18H,6-7,11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1
InChIKeyPOCNBKPBKJCZFC-GOSISDBHSA-N
XLogP4.87
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 110239562
[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567129
1-[(3S)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]propan-1-one
CID 92589209
[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 92588088
(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 110239535
cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 92568879
[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 92568881
1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 92581530
1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92598243
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 92589232
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone (CID 92581522) is 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone is CC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1.
What is the InChIKey of 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The InChIKey is POCNBKPBKJCZFC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-17(2)22-25-10-12-29(22)16-20(31)28-11-6-7-18(15-28)21-23-30(13-14-32-23)24(27-21)26-19-8-4-3-5-9-19/h3-5,8-10,12-14,17-18H,6-7,11,15-16H2,1-2H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone?
1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone has a molecular weight of 448.60 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone is sourced from PubChem (CID 92581522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).