2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

C15H23N5OS — CID 97315200

IUPAC2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)o1
InChIInChI=1S/C15H23N5OS/c1-4-14-17-18-15(21-14)11(2)20-7-5-19(6-8-20)9-13-10-22-12(3)16-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyLCCUPYBROPEVKM-LLVKDONJSA-N
MW321.45 g/mol
LogP2.28
Rot. Bonds5

About 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole

2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 97315200) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID97315200
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)o1
InChIInChI=1S/C15H23N5OS/c1-4-14-17-18-15(21-14)11(2)20-7-5-19(6-8-20)9-13-10-22-12(3)16-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyLCCUPYBROPEVKM-LLVKDONJSA-N
XLogP2.28
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 97315200) is 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is CCc1nnc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)o1.
What is the InChIKey of 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is LCCUPYBROPEVKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-4-14-17-18-15(21-14)11(2)20-7-5-19(6-8-20)9-13-10-22-12(3)16-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97315200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).