5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine

C8H11N7OS2 — CID 121256433

IUPAC5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(O[C@@H]2CCN(c3nnc(N)s3)C2)s1
InChIInChI=1S/C8H11N7OS2/c9-5-11-13-7(17-5)15-2-1-4(3-15)16-8-14-12-6(10)18-8/h4H,1-3H2,(H2,9,11)(H2,10,12)/t4-/m1/s1
InChIKeyGFLBHFNNUMROMT-SCSAIBSYSA-N
MW285.36 g/mol
LogP0.21
Rot. Bonds3

About 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine

5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 121256433) has the molecular formula C8H11N7OS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID121256433
Molecular FormulaC8H11N7OS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(O[C@@H]2CCN(c3nnc(N)s3)C2)s1
InChIInChI=1S/C8H11N7OS2/c9-5-11-13-7(17-5)15-2-1-4(3-15)16-8-14-12-6(10)18-8/h4H,1-3H2,(H2,9,11)(H2,10,12)/t4-/m1/s1
InChIKeyGFLBHFNNUMROMT-SCSAIBSYSA-N
XLogP0.21
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-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-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine (CID 121256433) is 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(O[C@@H]2CCN(c3nnc(N)s3)C2)s1.
What is the InChIKey of 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GFLBHFNNUMROMT-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11N7OS2/c9-5-11-13-7(17-5)15-2-1-4(3-15)16-8-14-12-6(10)18-8/h4H,1-3H2,(H2,9,11)(H2,10,12)/t4-/m1/s1.
What are the key properties of 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine?
5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 285.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 121256433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).