2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C21H19FN4OS — CID 2570528

IUPAC2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1
InChIInChI=1S/C21H19FN4OS/c22-16-7-5-14(6-8-16)20-25-24-19(27-20)13-26-11-9-15(10-12-26)21-23-17-3-1-2-4-18(17)28-21/h1-8,15H,9-13H2
InChIKeyLYHNXOLTRNCOGM-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.86
Rot. Bonds4

About 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 2570528) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID2570528
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1
InChIInChI=1S/C21H19FN4OS/c22-16-7-5-14(6-8-16)20-25-24-19(27-20)13-26-11-9-15(10-12-26)21-23-17-3-1-2-4-18(17)28-21/h1-8,15H,9-13H2
InChIKeyLYHNXOLTRNCOGM-UHFFFAOYSA-N
XLogP4.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 2570528) is 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1.
What is the InChIKey of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is LYHNXOLTRNCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c22-16-7-5-14(6-8-16)20-25-24-19(27-20)13-26-11-9-15(10-12-26)21-23-17-3-1-2-4-18(17)28-21/h1-8,15H,9-13H2.
What are the key properties of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 394.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2570528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).