5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H10N6S4 — CID 2872826

IUPAC5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCC=CCSc2nnc(N)s2)s1
InChIInChI=1S/C8H10N6S4/c9-5-11-13-7(17-5)15-3-1-2-4-16-8-14-12-6(10)18-8/h1-2H,3-4H2,(H2,9,11)(H2,10,12)
InChIKeyREUHNZDCGFQPCL-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.99
Rot. Bonds6

About 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2872826) has the molecular formula C8H10N6S4 and a molecular weight of 318.48 g/mol. Its IUPAC name is 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID2872826
Molecular FormulaC8H10N6S4
Molecular Weight318.48 g/mol
Exact Mass317.98
IUPAC Name5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCC=CCSc2nnc(N)s2)s1
InChIInChI=1S/C8H10N6S4/c9-5-11-13-7(17-5)15-3-1-2-4-16-8-14-12-6(10)18-8/h1-2H,3-4H2,(H2,9,11)(H2,10,12)
InChIKeyREUHNZDCGFQPCL-UHFFFAOYSA-N
XLogP1.99
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 2872826) is 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCC=CCSc2nnc(N)s2)s1.
What is the InChIKey of 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is REUHNZDCGFQPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S4/c9-5-11-13-7(17-5)15-3-1-2-4-16-8-14-12-6(10)18-8/h1-2H,3-4H2,(H2,9,11)(H2,10,12).
What are the key properties of 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 318.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2872826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).