2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C22H22N2O2S — CID 25121269

IUPAC2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H22N2O2S/c25-21(15-26-18-11-5-2-6-12-18)24-14-8-7-13-20(24)22-23-19(16-27-22)17-9-3-1-4-10-17/h1-6,9-12,16,20H,7-8,13-15H2/t20-/m1/s1
InChIKeyLPQRFRDJNVAWRA-HXUWFJFHSA-N
MW378.50 g/mol
LogP4.94
Rot. Bonds5

About 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 25121269) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID25121269
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H22N2O2S/c25-21(15-26-18-11-5-2-6-12-18)24-14-8-7-13-20(24)22-23-19(16-27-22)17-9-3-1-4-10-17/h1-6,9-12,16,20H,7-8,13-15H2/t20-/m1/s1
InChIKeyLPQRFRDJNVAWRA-HXUWFJFHSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.94
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
[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 10386867
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
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
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

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 25121269) is 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is LPQRFRDJNVAWRA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-21(15-26-18-11-5-2-6-12-18)24-14-8-7-13-20(24)22-23-19(16-27-22)17-9-3-1-4-10-17/h1-6,9-12,16,20H,7-8,13-15H2/t20-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 378.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 25121269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).