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

C8H8N8OS4 — CID 3591045

IUPAC5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2noc(CSc3nnc(N)s3)n2)s1
InChIInChI=1S/C8H8N8OS4/c9-5-12-14-7(20-5)18-1-3-11-4(17-16-3)2-19-8-15-13-6(10)21-8/h1-2H2,(H2,9,12)(H2,10,13)
InChIKeyRYBYMYOSQKESJS-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.52
Rot. Bonds6

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

5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 3591045) has the molecular formula C8H8N8OS4 and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID3591045
Molecular FormulaC8H8N8OS4
Molecular Weight360.48 g/mol
Exact Mass359.97
IUPAC Name5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2noc(CSc3nnc(N)s3)n2)s1
InChIInChI=1S/C8H8N8OS4/c9-5-12-14-7(20-5)18-1-3-11-4(17-16-3)2-19-8-15-13-6(10)21-8/h1-2H2,(H2,9,12)(H2,10,13)
InChIKeyRYBYMYOSQKESJS-UHFFFAOYSA-N
XLogP1.52
TPSA142.52 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 3591045) is 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2noc(CSc3nnc(N)s3)n2)s1.
What is the InChIKey of 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RYBYMYOSQKESJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8OS4/c9-5-12-14-7(20-5)18-1-3-11-4(17-16-3)2-19-8-15-13-6(10)21-8/h1-2H2,(H2,9,12)(H2,10,13).
What are the key properties of 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 360.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3591045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).