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

C18H17FN2OS — CID 174513207

IUPAC4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESFc1ccccc1OC1CCN(c2cccc3scnc23)CC1
InChIInChI=1S/C18H17FN2OS/c19-14-4-1-2-6-16(14)22-13-8-10-21(11-9-13)15-5-3-7-17-18(15)20-12-23-17/h1-7,12-13H,8-11H2
InChIKeyZNKMRKAOOZDDIK-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.48
Rot. Bonds3

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

4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 174513207) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
PubChem CID174513207
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESFc1ccccc1OC1CCN(c2cccc3scnc23)CC1
InChIInChI=1S/C18H17FN2OS/c19-14-4-1-2-6-16(14)22-13-8-10-21(11-9-13)15-5-3-7-17-18(15)20-12-23-17/h1-7,12-13H,8-11H2
InChIKeyZNKMRKAOOZDDIK-UHFFFAOYSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole (CID 174513207) is 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole is Fc1ccccc1OC1CCN(c2cccc3scnc23)CC1.
What is the InChIKey of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is ZNKMRKAOOZDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-4-1-2-6-16(14)22-13-8-10-21(11-9-13)15-5-3-7-17-18(15)20-12-23-17/h1-7,12-13H,8-11H2.
What are the key properties of 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole?
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 328.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 174513207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).