2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C15H20N4O2S — CID 56818959

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC(c3nc(C)no3)CC2)cs1
InChIInChI=1S/C15H20N4O2S/c1-3-13-17-12(9-22-13)8-14(20)19-6-4-11(5-7-19)15-16-10(2)18-21-15/h9,11H,3-8H2,1-2H3
InChIKeyOFQALDGEGSDNLS-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 56818959) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID56818959
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC(c3nc(C)no3)CC2)cs1
InChIInChI=1S/C15H20N4O2S/c1-3-13-17-12(9-22-13)8-14(20)19-6-4-11(5-7-19)15-16-10(2)18-21-15/h9,11H,3-8H2,1-2H3
InChIKeyOFQALDGEGSDNLS-UHFFFAOYSA-N
XLogP2.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 56818959) is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is CCc1nc(CC(=O)N2CCC(c3nc(C)no3)CC2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is OFQALDGEGSDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-13-17-12(9-22-13)8-14(20)19-6-4-11(5-7-19)15-16-10(2)18-21-15/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 320.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56818959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).