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

C19H19FN2S — CID 174513223

IUPAC4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
SMILESFc1ccccc1CC1CCN(c2cccc3scnc23)CC1
InChIInChI=1S/C19H19FN2S/c20-16-5-2-1-4-15(16)12-14-8-10-22(11-9-14)17-6-3-7-18-19(17)21-13-23-18/h1-7,13-14H,8-12H2
InChIKeyFVUIJDCNQOJBPP-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.89
Rot. Bonds3

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

4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole (PubChem CID 174513223) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
PubChem CID174513223
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
SMILESFc1ccccc1CC1CCN(c2cccc3scnc23)CC1
InChIInChI=1S/C19H19FN2S/c20-16-5-2-1-4-15(16)12-14-8-10-22(11-9-14)17-6-3-7-18-19(17)21-13-23-18/h1-7,13-14H,8-12H2
InChIKeyFVUIJDCNQOJBPP-UHFFFAOYSA-N
XLogP4.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole (CID 174513223) is 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole is Fc1ccccc1CC1CCN(c2cccc3scnc23)CC1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is FVUIJDCNQOJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c20-16-5-2-1-4-15(16)12-14-8-10-22(11-9-14)17-6-3-7-18-19(17)21-13-23-18/h1-7,13-14H,8-12H2.
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole?
4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 326.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 174513223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).