2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole

C15H19FN2S — CID 175262324

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CC2CCN(C3=NCCS3)CC2)cc1
InChIInChI=1S/C15H19FN2S/c16-14-3-1-12(2-4-14)11-13-5-8-18(9-6-13)15-17-7-10-19-15/h1-4,13H,5-11H2
InChIKeyXLQHWLXQRPLVIX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds2

About 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 175262324) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID175262324
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CC2CCN(C3=NCCS3)CC2)cc1
InChIInChI=1S/C15H19FN2S/c16-14-3-1-12(2-4-14)11-13-5-8-18(9-6-13)15-17-7-10-19-15/h1-4,13H,5-11H2
InChIKeyXLQHWLXQRPLVIX-UHFFFAOYSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole (CID 175262324) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole is Fc1ccc(CC2CCN(C3=NCCS3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is XLQHWLXQRPLVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c16-14-3-1-12(2-4-14)11-13-5-8-18(9-6-13)15-17-7-10-19-15/h1-4,13H,5-11H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 278.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 175262324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).