2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

C18H18FN3S — CID 99955870

IUPAC2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESFc1ccc2nc(CN3CCCC[C@H]3c3nccs3)ccc2c1
InChIInChI=1S/C18H18FN3S/c19-14-5-7-16-13(11-14)4-6-15(21-16)12-22-9-2-1-3-17(22)18-20-8-10-23-18/h4-8,10-11,17H,1-3,9,12H2/t17-/m0/s1
InChIKeyQIVSOQZOPGKALX-KRWDZBQOSA-N
MW327.43 g/mol
LogP4.56
Rot. Bonds3

About 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 99955870) has the molecular formula C18H18FN3S and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID99955870
Molecular FormulaC18H18FN3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC Name2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESFc1ccc2nc(CN3CCCC[C@H]3c3nccs3)ccc2c1
InChIInChI=1S/C18H18FN3S/c19-14-5-7-16-13(11-14)4-6-15(21-16)12-22-9-2-1-3-17(22)18-20-8-10-23-18/h4-8,10-11,17H,1-3,9,12H2/t17-/m0/s1
InChIKeyQIVSOQZOPGKALX-KRWDZBQOSA-N
XLogP4.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (CID 99955870) is 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is Fc1ccc2nc(CN3CCCC[C@H]3c3nccs3)ccc2c1.
What is the InChIKey of 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is QIVSOQZOPGKALX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FN3S/c19-14-5-7-16-13(11-14)4-6-15(21-16)12-22-9-2-1-3-17(22)18-20-8-10-23-18/h4-8,10-11,17H,1-3,9,12H2/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 327.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99955870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).