3-benzyl-1,2,4-thiadiazol-5-amine

C9H9N3S — CID 605593

IUPAC3-benzyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccccc2)ns1
InChIInChI=1S/C9H9N3S/c10-9-11-8(12-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKeyBDPJUFWVJYJIEY-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.71
Rot. Bonds2

About 3-benzyl-1,2,4-thiadiazol-5-amine

3-benzyl-1,2,4-thiadiazol-5-amine (PubChem CID 605593) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-benzyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-benzyl-1,2,4-thiadiazol-5-amine
PubChem CID605593
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name3-benzyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccccc2)ns1
InChIInChI=1S/C9H9N3S/c10-9-11-8(12-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKeyBDPJUFWVJYJIEY-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-benzyl-1,2,4-thiadiazol-5-amine (CID 605593) is 3-benzyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-benzyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-benzyl-1,2,4-thiadiazol-5-amine is Nc1nc(Cc2ccccc2)ns1.
What is the InChIKey of 3-benzyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BDPJUFWVJYJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-9-11-8(12-13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12).
What are the key properties of 3-benzyl-1,2,4-thiadiazol-5-amine?
3-benzyl-1,2,4-thiadiazol-5-amine has a molecular weight of 191.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 605593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).