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

C8H11N5OS2 — CID 29212528

IUPAC5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C8H11N5OS2/c1-4(2)6-10-5(14-13-6)3-15-8-12-11-7(9)16-8/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyAPQSPYATMMMUTP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.92
Rot. Bonds4

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

5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 29212528) has the molecular formula C8H11N5OS2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID29212528
Molecular FormulaC8H11N5OS2
Molecular Weight257.34 g/mol
Exact Mass257.04
IUPAC Name5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1noc(CSc2nnc(N)s2)n1
InChIInChI=1S/C8H11N5OS2/c1-4(2)6-10-5(14-13-6)3-15-8-12-11-7(9)16-8/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyAPQSPYATMMMUTP-UHFFFAOYSA-N
XLogP1.92
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 29212528) is 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)c1noc(CSc2nnc(N)s2)n1.
What is the InChIKey of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is APQSPYATMMMUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS2/c1-4(2)6-10-5(14-13-6)3-15-8-12-11-7(9)16-8/h4H,3H2,1-2H3,(H2,9,11).
What are the key properties of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 29212528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).