2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone

C17H24F2N4OS — CID 171993197

IUPAC2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CC1CCN(c2nc(C3CC3)ns2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H24F2N4OS/c18-17(19)5-9-22(10-6-17)14(24)11-12-3-7-23(8-4-12)16-20-15(21-25-16)13-1-2-13/h12-13H,1-11H2
InChIKeyZCRAZOZVMMWTSR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.28
Rot. Bonds4

About 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone

2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 171993197) has the molecular formula C17H24F2N4OS and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID171993197
Molecular FormulaC17H24F2N4OS
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESO=C(CC1CCN(c2nc(C3CC3)ns2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H24F2N4OS/c18-17(19)5-9-22(10-6-17)14(24)11-12-3-7-23(8-4-12)16-20-15(21-25-16)13-1-2-13/h12-13H,1-11H2
InChIKeyZCRAZOZVMMWTSR-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 171995850
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335674
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 171992936
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 133480614
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpiperidin-4-amine
CID 113283152
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetic acid
CID 79608252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone (CID 171993197) is 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone is O=C(CC1CCN(c2nc(C3CC3)ns2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is ZCRAZOZVMMWTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4OS/c18-17(19)5-9-22(10-6-17)14(24)11-12-3-7-23(8-4-12)16-20-15(21-25-16)13-1-2-13/h12-13H,1-11H2.
What are the key properties of 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 370.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 171993197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).