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

C8H8N4S2 — CID 785720

IUPAC5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccccn2)s1
InChIInChI=1S/C8H8N4S2/c9-7-11-12-8(14-7)13-5-6-3-1-2-4-10-6/h1-4H,5H2,(H2,9,11)
InChIKeyCDFFVSBBDVTTFB-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.81
Rot. Bonds3

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

5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 785720) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID785720
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccccn2)s1
InChIInChI=1S/C8H8N4S2/c9-7-11-12-8(14-7)13-5-6-3-1-2-4-10-6/h1-4H,5H2,(H2,9,11)
InChIKeyCDFFVSBBDVTTFB-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

Analyze 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 785720) is 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2ccccn2)s1.
What is the InChIKey of 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CDFFVSBBDVTTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c9-7-11-12-8(14-7)13-5-6-3-1-2-4-10-6/h1-4H,5H2,(H2,9,11).
What are the key properties of 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-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 5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 785720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).