5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C5H6N6S2 — CID 130884607

IUPAC5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn[nH]n2)s1
InChIInChI=1S/C5H6N6S2/c6-4-9-10-5(13-4)12-2-3-1-7-11-8-3/h1H,2H2,(H2,6,9)(H,7,8,11)
InChIKeyZEOLGVFRDFJEJJ-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.53
Rot. Bonds3

About 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130884607) has the molecular formula C5H6N6S2 and a molecular weight of 214.28 g/mol. Its IUPAC name is 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID130884607
Molecular FormulaC5H6N6S2
Molecular Weight214.28 g/mol
Exact Mass214.01
IUPAC Name5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn[nH]n2)s1
InChIInChI=1S/C5H6N6S2/c6-4-9-10-5(13-4)12-2-3-1-7-11-8-3/h1H,2H2,(H2,6,9)(H,7,8,11)
InChIKeyZEOLGVFRDFJEJJ-UHFFFAOYSA-N
XLogP0.53
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 130884607) is 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cn[nH]n2)s1.
What is the InChIKey of 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZEOLGVFRDFJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S2/c6-4-9-10-5(13-4)12-2-3-1-7-11-8-3/h1H,2H2,(H2,6,9)(H,7,8,11).
What are the key properties of 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 214.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130884607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).