(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C22H20N6O2S — CID 86265996

IUPAC(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C22H20N6O2S/c29-22(18-14-31-21(25-18)16-6-2-1-3-7-16)28-10-4-5-15(13-28)11-19-26-20(27-30-19)17-12-23-8-9-24-17/h1-3,6-9,12,14-15H,4-5,10-11,13H2
InChIKeyCAYAXTMROCXWLV-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.74
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 86265996) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID86265996
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C22H20N6O2S/c29-22(18-14-31-21(25-18)16-6-2-1-3-7-16)28-10-4-5-15(13-28)11-19-26-20(27-30-19)17-12-23-8-9-24-17/h1-3,6-9,12,14-15H,4-5,10-11,13H2
InChIKeyCAYAXTMROCXWLV-UHFFFAOYSA-N
XLogP3.74
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 86265996) is (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1csc(-c2ccccc2)n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is CAYAXTMROCXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S/c29-22(18-14-31-21(25-18)16-6-2-1-3-7-16)28-10-4-5-15(13-28)11-19-26-20(27-30-19)17-12-23-8-9-24-17/h1-3,6-9,12,14-15H,4-5,10-11,13H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 432.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 86265996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).