6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

C8H8N4S2 — CID 79238970

IUPAC6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESNc1cccc(CSc2nncs2)n1
InChIInChI=1S/C8H8N4S2/c9-7-3-1-2-6(11-7)4-13-8-12-10-5-14-8/h1-3,5H,4H2,(H2,9,11)
InChIKeyMTHKLYWAENXUOI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.81
Rot. Bonds3

About 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 79238970) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID79238970
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESNc1cccc(CSc2nncs2)n1
InChIInChI=1S/C8H8N4S2/c9-7-3-1-2-6(11-7)4-13-8-12-10-5-14-8/h1-3,5H,4H2,(H2,9,11)
InChIKeyMTHKLYWAENXUOI-UHFFFAOYSA-N
XLogP1.81
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (CID 79238970) is 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is Nc1cccc(CSc2nncs2)n1.
What is the InChIKey of 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is MTHKLYWAENXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c9-7-3-1-2-6(11-7)4-13-8-12-10-5-14-8/h1-3,5H,4H2,(H2,9,11).
What are the key properties of 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 79238970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).