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

C21H21N3O2S — CID 67358666

IUPAC2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccncc2)n1
InChIInChI=1S/C21H21N3O2S/c25-20(14-26-17-6-2-1-3-7-17)24-13-5-4-8-19(24)18-15-27-21(23-18)16-9-11-22-12-10-16/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2/t19-/m1/s1
InChIKeyKDRVJTCZWMDLCY-LJQANCHMSA-N
MW379.49 g/mol
LogP4.34
Rot. Bonds5

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

2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 67358666) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
PubChem CID67358666
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccncc2)n1
InChIInChI=1S/C21H21N3O2S/c25-20(14-26-17-6-2-1-3-7-17)24-13-5-4-8-19(24)18-15-27-21(23-18)16-9-11-22-12-10-16/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2/t19-/m1/s1
InChIKeyKDRVJTCZWMDLCY-LJQANCHMSA-N
XLogP4.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (CID 67358666) is 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccncc2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is KDRVJTCZWMDLCY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(14-26-17-6-2-1-3-7-17)24-13-5-4-8-19(24)18-15-27-21(23-18)16-9-11-22-12-10-16/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2/t19-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 379.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 67358666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).