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

C21H21N3O2S — CID 25095157

IUPAC2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1
InChIKeyBOUYMYAAZCWWFQ-LJQANCHMSA-N
MW379.49 g/mol
LogP4.34
Rot. Bonds5

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

2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 25095157) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID25095157
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccn2)cs1
InChIInChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1
InChIKeyBOUYMYAAZCWWFQ-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-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 25095157) is 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is BOUYMYAAZCWWFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-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-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 25095157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).