5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C7H9N5OS2 — CID 28782721

IUPAC5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C7H9N5OS2/c1-2-4-9-5(13-12-4)3-14-7-11-10-6(8)15-7/h2-3H2,1H3,(H2,8,10)
InChIKeyMBJJMISRMNXOTK-UHFFFAOYSA-N
MW243.32 g/mol
LogP1.36
Rot. Bonds4

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

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 28782721) has the molecular formula C7H9N5OS2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID28782721
Molecular FormulaC7H9N5OS2
Molecular Weight243.32 g/mol
Exact Mass243.02
IUPAC Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C7H9N5OS2/c1-2-4-9-5(13-12-4)3-14-7-11-10-6(8)15-7/h2-3H2,1H3,(H2,8,10)
InChIKeyMBJJMISRMNXOTK-UHFFFAOYSA-N
XLogP1.36
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 28782721) is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCc1noc(CSc2nnc(N)s2)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MBJJMISRMNXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS2/c1-2-4-9-5(13-12-4)3-14-7-11-10-6(8)15-7/h2-3H2,1H3,(H2,8,10).
What are the key properties of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 243.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 28782721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).