5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol

C19H19FN2OS — CID 162643099

IUPAC5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol
SMILESOc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2scnc12
InChIInChI=1S/C19H19FN2OS/c20-14-6-4-13(5-7-14)18(22-10-2-1-3-11-22)15-8-9-16-17(19(15)23)21-12-24-16/h4-9,12,18,23H,1-3,10-11H2
InChIKeySNYOBMWQZCENBI-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.72
Rot. Bonds3

About 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol

5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol (PubChem CID 162643099) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol
PubChem CID162643099
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol
SMILESOc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2scnc12
InChIInChI=1S/C19H19FN2OS/c20-14-6-4-13(5-7-14)18(22-10-2-1-3-11-22)15-8-9-16-17(19(15)23)21-12-24-16/h4-9,12,18,23H,1-3,10-11H2
InChIKeySNYOBMWQZCENBI-UHFFFAOYSA-N
XLogP4.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol?
The IUPAC name of 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol (CID 162643099) is 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol is Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2scnc12.
What is the InChIKey of 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol?
The InChIKey is SNYOBMWQZCENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-14-6-4-13(5-7-14)18(22-10-2-1-3-11-22)15-8-9-16-17(19(15)23)21-12-24-16/h4-9,12,18,23H,1-3,10-11H2.
What are the key properties of 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol?
5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol has a molecular weight of 342.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 162643099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).