cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

C21H23FN4OS — CID 92568879

IUPACcyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1
InChIInChI=1S/C21H23FN4OS/c22-16-7-2-8-17(12-16)23-21-24-18(20-26(21)10-11-28-20)15-6-3-9-25(13-15)19(27)14-4-1-5-14/h2,7-8,10-12,14-15H,1,3-6,9,13H2,(H,23,24)/t15-/m1/s1
InChIKeyANGDWSMQINFHOB-OAHLLOKOSA-N
MW398.51 g/mol
LogP4.78
Rot. Bonds4

About cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone (PubChem CID 92568879) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
PubChem CID92568879
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Namecyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1
InChIInChI=1S/C21H23FN4OS/c22-16-7-2-8-17(12-16)23-21-24-18(20-26(21)10-11-28-20)15-6-3-9-25(13-15)19(27)14-4-1-5-14/h2,7-8,10-12,14-15H,1,3-6,9,13H2,(H,23,24)/t15-/m1/s1
InChIKeyANGDWSMQINFHOB-OAHLLOKOSA-N
XLogP4.78
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 92568881
(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
CID 110239535
[(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
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
cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92568866
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50817188
(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
1-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53140068
[(3S)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 95094588
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
1-[3-[4-[(1-acetylpiperidin-3-yl)amino]-6-(3-fluoroanilino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 167370371
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone (CID 92568879) is cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1.
What is the InChIKey of cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The InChIKey is ANGDWSMQINFHOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN4OS/c22-16-7-2-8-17(12-16)23-21-24-18(20-26(21)10-11-28-20)15-6-3-9-25(13-15)19(27)14-4-1-5-14/h2,7-8,10-12,14-15H,1,3-6,9,13H2,(H,23,24)/t15-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92568879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).