3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

C6H10N4S — CID 28908331

IUPAC3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(N2CCCC2)ns1
InChIInChI=1S/C6H10N4S/c7-5-8-6(9-11-5)10-3-1-2-4-10/h1-4H2,(H2,7,8,9)
InChIKeyFBNDUFVKIUSZFE-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.72
Rot. Bonds1

About 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 28908331) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID28908331
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(N2CCCC2)ns1
InChIInChI=1S/C6H10N4S/c7-5-8-6(9-11-5)10-3-1-2-4-10/h1-4H2,(H2,7,8,9)
InChIKeyFBNDUFVKIUSZFE-UHFFFAOYSA-N
XLogP0.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (CID 28908331) is 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is Nc1nc(N2CCCC2)ns1.
What is the InChIKey of 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is FBNDUFVKIUSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c7-5-8-6(9-11-5)10-3-1-2-4-10/h1-4H2,(H2,7,8,9).
What are the key properties of 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 170.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 28908331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).