3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine

C8H13N3OS — CID 131076553

IUPAC3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine
SMILESCCCc1nc(C2(N)CSC2)no1
InChIInChI=1S/C8H13N3OS/c1-2-3-6-10-7(11-12-6)8(9)4-13-5-8/h2-5,9H2,1H3
InChIKeyHOFLCNFRRKHJIN-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.92
Rot. Bonds3

About 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine

3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine (PubChem CID 131076553) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine.

Molecular Properties

Compound Name3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine
PubChem CID131076553
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine
SMILESCCCc1nc(C2(N)CSC2)no1
InChIInChI=1S/C8H13N3OS/c1-2-3-6-10-7(11-12-6)8(9)4-13-5-8/h2-5,9H2,1H3
InChIKeyHOFLCNFRRKHJIN-UHFFFAOYSA-N
XLogP0.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine?
The IUPAC name of 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine (CID 131076553) is 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine.
What is the SMILES notation for 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine?
The canonical SMILES for 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine is CCCc1nc(C2(N)CSC2)no1.
What is the InChIKey of 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine?
The InChIKey is HOFLCNFRRKHJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-3-6-10-7(11-12-6)8(9)4-13-5-8/h2-5,9H2,1H3.
What are the key properties of 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine?
3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine has a molecular weight of 199.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1,2,4-oxadiazol-3-yl)thietan-3-amine is sourced from PubChem (CID 131076553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).