1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C20H19FN2O2S — CID 70775209

IUPAC1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2scnc2c1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O2S/c21-16-4-6-17(7-5-16)25-12-14-2-1-9-23(11-14)20(24)15-3-8-19-18(10-15)22-13-26-19/h3-8,10,13-14H,1-2,9,11-12H2
InChIKeySAFRABSGEATMDI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.37
Rot. Bonds4

About 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70775209) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70775209
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2scnc2c1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O2S/c21-16-4-6-17(7-5-16)25-12-14-2-1-9-23(11-14)20(24)15-3-8-19-18(10-15)22-13-26-19/h3-8,10,13-14H,1-2,9,11-12H2
InChIKeySAFRABSGEATMDI-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 70775209) is 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is O=C(c1ccc2scnc2c1)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is SAFRABSGEATMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-16-4-6-17(7-5-16)25-12-14-2-1-9-23(11-14)20(24)15-3-8-19-18(10-15)22-13-26-19/h3-8,10,13-14H,1-2,9,11-12H2.
What are the key properties of 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-5-yl-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70775209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).