2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone

C17H22N4O2S — CID 71863680

IUPAC2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone
SMILESCCc1nnc(CNc2ccc(CC(=O)N3CCSCC3)cc2)o1
InChIInChI=1S/C17H22N4O2S/c1-2-15-19-20-16(23-15)12-18-14-5-3-13(4-6-14)11-17(22)21-7-9-24-10-8-21/h3-6,18H,2,7-12H2,1H3
InChIKeyAQTAADNTKFYANT-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone

2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone (PubChem CID 71863680) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone
PubChem CID71863680
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone
SMILESCCc1nnc(CNc2ccc(CC(=O)N3CCSCC3)cc2)o1
InChIInChI=1S/C17H22N4O2S/c1-2-15-19-20-16(23-15)12-18-14-5-3-13(4-6-14)11-17(22)21-7-9-24-10-8-21/h3-6,18H,2,7-12H2,1H3
InChIKeyAQTAADNTKFYANT-UHFFFAOYSA-N
XLogP2.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone (CID 71863680) is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone is CCc1nnc(CNc2ccc(CC(=O)N3CCSCC3)cc2)o1.
What is the InChIKey of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone?
The InChIKey is AQTAADNTKFYANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-15-19-20-16(23-15)12-18-14-5-3-13(4-6-14)11-17(22)21-7-9-24-10-8-21/h3-6,18H,2,7-12H2,1H3.
What are the key properties of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone?
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone has a molecular weight of 346.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 71863680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).