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

C7H13N3OS — CID 935797

IUPAC2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(C)Sc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3
InChIKeyZJRLRXMMUMDPJP-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds4

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

2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 935797) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID935797
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(C)Sc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3
InChIKeyZJRLRXMMUMDPJP-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 935797) is 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CC(C)Sc1nnc(CCN)o1.
What is the InChIKey of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is ZJRLRXMMUMDPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)12-7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 187.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 935797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).