1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one

C25H27N5OS — CID 110239562

IUPAC1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCCC(c2nc(Nc3ccccc3)n3ccsc23)C1
InChIInChI=1S/C25H27N5OS/c31-22(13-6-12-20-9-4-5-14-26-20)29-15-7-8-19(18-29)23-24-30(16-17-32-24)25(28-23)27-21-10-2-1-3-11-21/h1-5,9-11,14,16-17,19H,6-8,12-13,15,18H2,(H,27,28)
InChIKeyRWEQKXORJDCYMY-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.26
Rot. Bonds7

About 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 110239562) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID110239562
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESO=C(CCCc1ccccn1)N1CCCC(c2nc(Nc3ccccc3)n3ccsc23)C1
InChIInChI=1S/C25H27N5OS/c31-22(13-6-12-20-9-4-5-14-26-20)29-15-7-8-19(18-29)23-24-30(16-17-32-24)25(28-23)27-21-10-2-1-3-11-21/h1-5,9-11,14,16-17,19H,6-8,12-13,15,18H2,(H,27,28)
InChIKeyRWEQKXORJDCYMY-UHFFFAOYSA-N
XLogP5.26
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[(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
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
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
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-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95609115
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95777652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 110239562) is 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one is O=C(CCCc1ccccn1)N1CCCC(c2nc(Nc3ccccc3)n3ccsc23)C1.
What is the InChIKey of 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is RWEQKXORJDCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c31-22(13-6-12-20-9-4-5-14-26-20)29-15-7-8-19(18-29)23-24-30(16-17-32-24)25(28-23)27-21-10-2-1-3-11-21/h1-5,9-11,14,16-17,19H,6-8,12-13,15,18H2,(H,27,28).
What are the key properties of 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 445.59 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 110239562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).