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

C20H20N4O2S — CID 67357832

IUPAC2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cnccn2)n1
InChIInChI=1S/C20H20N4O2S/c25-19(13-26-15-6-2-1-3-7-15)24-11-5-4-8-18(24)17-14-27-20(23-17)16-12-21-9-10-22-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1
InChIKeyRHUHUOHVJHBDQF-GOSISDBHSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds5

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

2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 67357832) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
PubChem CID67357832
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cnccn2)n1
InChIInChI=1S/C20H20N4O2S/c25-19(13-26-15-6-2-1-3-7-15)24-11-5-4-8-18(24)17-14-27-20(23-17)16-12-21-9-10-22-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1
InChIKeyRHUHUOHVJHBDQF-GOSISDBHSA-N
XLogP3.73
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (CID 67357832) is 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cnccn2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is RHUHUOHVJHBDQF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(13-26-15-6-2-1-3-7-15)24-11-5-4-8-18(24)17-14-27-20(23-17)16-12-21-9-10-22-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 380.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 67357832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).