(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

C22H23FN6OS — CID 110239535

IUPAC(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESCCn1cncc1C(=O)N1CCCC(c2nc(Nc3cccc(F)c3)n3ccsc23)C1
InChIInChI=1S/C22H23FN6OS/c1-2-27-14-24-12-18(27)20(30)28-8-4-5-15(13-28)19-21-29(9-10-31-21)22(26-19)25-17-7-3-6-16(23)11-17/h3,6-7,9-12,14-15H,2,4-5,8,13H2,1H3,(H,25,26)
InChIKeyIWSLPFGIYWGMES-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.51
Rot. Bonds5

About (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone

(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone (PubChem CID 110239535) has the molecular formula C22H23FN6OS and a molecular weight of 438.53 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
PubChem CID110239535
Molecular FormulaC22H23FN6OS
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone
SMILESCCn1cncc1C(=O)N1CCCC(c2nc(Nc3cccc(F)c3)n3ccsc23)C1
InChIInChI=1S/C22H23FN6OS/c1-2-27-14-24-12-18(27)20(30)28-8-4-5-15(13-28)19-21-29(9-10-31-21)22(26-19)25-17-7-3-6-16(23)11-17/h3,6-7,9-12,14-15H,2,4-5,8,13H2,1H3,(H,25,26)
InChIKeyIWSLPFGIYWGMES-UHFFFAOYSA-N
XLogP4.51
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567129
[(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
1-[(3S)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]propan-1-one
CID 92589209
1-[3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 110239562
(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
[(3S)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 95094588
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
N-(cyclopropylmethyl)-6-[(3R)-1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621900
N-(cyclopropylmethyl)-6-[1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264282

Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone (CID 110239535) is (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is CCn1cncc1C(=O)N1CCCC(c2nc(Nc3cccc(F)c3)n3ccsc23)C1.
What is the InChIKey of (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
The InChIKey is IWSLPFGIYWGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6OS/c1-2-27-14-24-12-18(27)20(30)28-8-4-5-15(13-28)19-21-29(9-10-31-21)22(26-19)25-17-7-3-6-16(23)11-17/h3,6-7,9-12,14-15H,2,4-5,8,13H2,1H3,(H,25,26).
What are the key properties of (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone?
(3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-[3-[5-(3-fluoroanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110239535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).