2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

C7H13N3OS — CID 9170702

IUPAC2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCSc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3
InChIKeyRBZVTJUMDGXOCG-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds5

About 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 9170702) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID9170702
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCSc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3
InChIKeyRBZVTJUMDGXOCG-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 9170702) is 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCSc1nnc(CCN)o1.
What is the InChIKey of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is RBZVTJUMDGXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3.
What are the key properties of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 187.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 9170702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).