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2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole

C17H17FN4OS — CID 155975029

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1
InChIInChI=1S/C17H17FN4OS/c18-12-3-4-13-14(9-12)24-17(19-13)22-7-5-11(6-8-22)16-21-20-15(23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2
InChIKeyZZXXAHBYCMFSIL-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.08
Rot. Bonds3

About 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 155975029) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID155975029
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1
InChIInChI=1S/C17H17FN4OS/c18-12-3-4-13-14(9-12)24-17(19-13)22-7-5-11(6-8-22)16-21-20-15(23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2
InChIKeyZZXXAHBYCMFSIL-UHFFFAOYSA-N
XLogP4.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (CID 155975029) is 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is Fc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1.
What is the InChIKey of 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is ZZXXAHBYCMFSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-12-3-4-13-14(9-12)24-17(19-13)22-7-5-11(6-8-22)16-21-20-15(23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2.
What are the key properties of 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 155975029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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