1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C19H17FN2O2S — CID 67168911

IUPAC1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O2S/c20-14-2-4-15(5-3-14)24-16-7-9-22(10-8-16)19(23)13-1-6-17-18(11-13)25-12-21-17/h1-6,11-12,16H,7-10H2
InChIKeySIMNTCAESNKHJI-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.12
Rot. Bonds3

About 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 67168911) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID67168911
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O2S/c20-14-2-4-15(5-3-14)24-16-7-9-22(10-8-16)19(23)13-1-6-17-18(11-13)25-12-21-17/h1-6,11-12,16H,7-10H2
InChIKeySIMNTCAESNKHJI-UHFFFAOYSA-N
XLogP4.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 67168911) is 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is SIMNTCAESNKHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-14-2-4-15(5-3-14)24-16-7-9-22(10-8-16)19(23)13-1-6-17-18(11-13)25-12-21-17/h1-6,11-12,16H,7-10H2.
What are the key properties of 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 356.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 67168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).