[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

C19H20FN3OS — CID 29312797

IUPAC[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H20FN3OS/c1-12-4-3-9-22(10-12)18(24)17-13(2)23-11-16(21-19(23)25-17)14-5-7-15(20)8-6-14/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyHIWQESBAWSVBQH-GFCCVEGCSA-N
MW357.45 g/mol
LogP4.38
Rot. Bonds2

About [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 29312797) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID29312797
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H20FN3OS/c1-12-4-3-9-22(10-12)18(24)17-13(2)23-11-16(21-19(23)25-17)14-5-7-15(20)8-6-14/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyHIWQESBAWSVBQH-GFCCVEGCSA-N
XLogP4.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
[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
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 3610141
6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 74381335
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
6-(4-fluorophenyl)-3-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084778
N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348866
ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-3-carboxylate
CID 43953532
3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
CID 3245021
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 29312797) is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is HIWQESBAWSVBQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-4-3-9-22(10-12)18(24)17-13(2)23-11-16(21-19(23)25-17)14-5-7-15(20)8-6-14/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 29312797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).