5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole

C15H17F2N5OS — CID 126808316

IUPAC5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2sccn2c1-c1noc(C2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C15H17F2N5OS/c1-9-12(22-6-7-24-15(22)18-9)13-19-14(23-20-13)10-2-4-21(5-3-10)8-11(16)17/h6-7,10-11H,2-5,8H2,1H3
InChIKeyOIAJCNJIKXOPHV-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.20
Rot. Bonds4

About 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole

5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 126808316) has the molecular formula C15H17F2N5OS and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID126808316
Molecular FormulaC15H17F2N5OS
Molecular Weight353.40 g/mol
Exact Mass353.11
IUPAC Name5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1nc2sccn2c1-c1noc(C2CCN(CC(F)F)CC2)n1
InChIInChI=1S/C15H17F2N5OS/c1-9-12(22-6-7-24-15(22)18-9)13-19-14(23-20-13)10-2-4-21(5-3-10)8-11(16)17/h6-7,10-11H,2-5,8H2,1H3
InChIKeyOIAJCNJIKXOPHV-UHFFFAOYSA-N
XLogP3.20
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 154864298
6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91946391
5,5,5-trifluoro-1-[4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CID 54579915
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53003960
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole (CID 126808316) is 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole is Cc1nc2sccn2c1-c1noc(C2CCN(CC(F)F)CC2)n1.
What is the InChIKey of 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is OIAJCNJIKXOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5OS/c1-9-12(22-6-7-24-15(22)18-9)13-19-14(23-20-13)10-2-4-21(5-3-10)8-11(16)17/h6-7,10-11H,2-5,8H2,1H3.
What are the key properties of 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole?
5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 353.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 126808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).