2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole

C24H21FN2OS — CID 174498478

IUPAC2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
SMILESFc1ccc(OC2CCN(c3nc4cc(-c5ccccc5)ccc4s3)CC2)cc1
InChIInChI=1S/C24H21FN2OS/c25-19-7-9-20(10-8-19)28-21-12-14-27(15-13-21)24-26-22-16-18(6-11-23(22)29-24)17-4-2-1-3-5-17/h1-11,16,21H,12-15H2
InChIKeyRJGYXXOQQAPCTH-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.15
Rot. Bonds4

About 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole

2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole (PubChem CID 174498478) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
PubChem CID174498478
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
SMILESFc1ccc(OC2CCN(c3nc4cc(-c5ccccc5)ccc4s3)CC2)cc1
InChIInChI=1S/C24H21FN2OS/c25-19-7-9-20(10-8-19)28-21-12-14-27(15-13-21)24-26-22-16-18(6-11-23(22)29-24)17-4-2-1-3-5-17/h1-11,16,21H,12-15H2
InChIKeyRJGYXXOQQAPCTH-UHFFFAOYSA-N
XLogP6.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole?
The IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole (CID 174498478) is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole is Fc1ccc(OC2CCN(c3nc4cc(-c5ccccc5)ccc4s3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole?
The InChIKey is RJGYXXOQQAPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c25-19-7-9-20(10-8-19)28-21-12-14-27(15-13-21)24-26-22-16-18(6-11-23(22)29-24)17-4-2-1-3-5-17/h1-11,16,21H,12-15H2.
What are the key properties of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole?
2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole has a molecular weight of 404.51 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole is sourced from PubChem (CID 174498478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).