1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

C22H21FN2O2S — CID 25123085

IUPAC1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN2O2S/c23-17-11-9-16(10-12-17)22-24-19(15-28-22)20-8-4-5-13-25(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2/t20-/m1/s1
InChIKeyMUOIQSQXHCNIFW-HXUWFJFHSA-N
MW396.49 g/mol
LogP5.08
Rot. Bonds5

About 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 25123085) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID25123085
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN2O2S/c23-17-11-9-16(10-12-17)22-24-19(15-28-22)20-8-4-5-13-25(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2/t20-/m1/s1
InChIKeyMUOIQSQXHCNIFW-HXUWFJFHSA-N
XLogP5.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-Benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 2350207
2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25095157
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1172672
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
2-Phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
CID 14146330

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 25123085) is 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is MUOIQSQXHCNIFW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c23-17-11-9-16(10-12-17)22-24-19(15-28-22)20-8-4-5-13-25(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20H,4-5,8,13-14H2/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 396.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 25123085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).