[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C23H24FN3O2S — CID 25125172

IUPAC[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c(-c2ccccc2)s1
InChIInChI=1S/C23H24FN3O2S/c1-15-8-9-17(14-29-20-11-10-19(24)12-25-20)13-27(15)23(28)21-22(30-16(2)26-21)18-6-4-3-5-7-18/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3
InChIKeyZPGQDOQESJVZOA-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.97
Rot. Bonds5

About [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25125172) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25125172
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c(-c2ccccc2)s1
InChIInChI=1S/C23H24FN3O2S/c1-15-8-9-17(14-29-20-11-10-19(24)12-25-20)13-27(15)23(28)21-22(30-16(2)26-21)18-6-4-3-5-7-18/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3
InChIKeyZPGQDOQESJVZOA-UHFFFAOYSA-N
XLogP4.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184039
N-ethyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960929
6-(2,4-Dimethoxypyridin-3-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69081444
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone
CID 25124487
US9546152, example 22
CID 74222405
US9546152, example 26
CID 74222489
[2-[2-(4-Fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 10113123
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
N-[(3S)-1-[3-(4-acetylphenoxy)propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334037
[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184040
US9896452, Example 79
CID 89739407
1-[(2R)-2-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25123083

Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25125172) is [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC(COc3ccc(F)cn3)CCC2C)c(-c2ccccc2)s1.
What is the InChIKey of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZPGQDOQESJVZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-15-8-9-17(14-29-20-11-10-19(24)12-25-20)13-27(15)23(28)21-22(30-16(2)26-21)18-6-4-3-5-7-18/h3-7,10-12,15,17H,8-9,13-14H2,1-2H3.
What are the key properties of [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 425.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25125172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).