4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine

C13H17N3O2S2 — CID 75393578

IUPAC4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
SMILESc1csc(-c2nnc(CSCCN3CCOCC3)o2)c1
InChIInChI=1S/C13H17N3O2S2/c1-2-11(20-8-1)13-15-14-12(18-13)10-19-9-5-16-3-6-17-7-4-16/h1-2,8H,3-7,9-10H2
InChIKeyZQWFCTXDXKKQQX-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.36
Rot. Bonds6

About 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine

4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine (PubChem CID 75393578) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
PubChem CID75393578
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
SMILESc1csc(-c2nnc(CSCCN3CCOCC3)o2)c1
InChIInChI=1S/C13H17N3O2S2/c1-2-11(20-8-1)13-15-14-12(18-13)10-19-9-5-16-3-6-17-7-4-16/h1-2,8H,3-7,9-10H2
InChIKeyZQWFCTXDXKKQQX-UHFFFAOYSA-N
XLogP2.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine (CID 75393578) is 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine is c1csc(-c2nnc(CSCCN3CCOCC3)o2)c1.
What is the InChIKey of 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine?
The InChIKey is ZQWFCTXDXKKQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-11(20-8-1)13-15-14-12(18-13)10-19-9-5-16-3-6-17-7-4-16/h1-2,8H,3-7,9-10H2.
What are the key properties of 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine?
4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine has a molecular weight of 311.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 75393578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).