5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

C10H17ClN4OS — CID 106327726

IUPAC5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCN2CCSCC2)o1
InChIInChI=1S/C10H17ClN4OS/c1-8(11)9-13-14-10(16-9)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,12,14)
InChIKeyJOKISVMMFYWQMD-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.83
Rot. Bonds5

About 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106327726) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106327726
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCN2CCSCC2)o1
InChIInChI=1S/C10H17ClN4OS/c1-8(11)9-13-14-10(16-9)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,12,14)
InChIKeyJOKISVMMFYWQMD-UHFFFAOYSA-N
XLogP1.83
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106327726) is 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NCCN2CCSCC2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JOKISVMMFYWQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4OS/c1-8(11)9-13-14-10(16-9)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.79 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106327726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).