(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

C6H9N3O2S — CID 130742356

IUPAC(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ncns2)C[C@@H]1O
InChIInChI=1S/C6H9N3O2S/c10-4-1-9(2-5(4)11)6-7-3-8-12-6/h3-5,10-11H,1-2H2/t4-,5+
InChIKeyOBSSYMVMQBODMU-SYDPRGILSA-N
MW187.22 g/mol
LogP-0.92
Rot. Bonds1

About (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (PubChem CID 130742356) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
PubChem CID130742356
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ncns2)C[C@@H]1O
InChIInChI=1S/C6H9N3O2S/c10-4-1-9(2-5(4)11)6-7-3-8-12-6/h3-5,10-11H,1-2H2/t4-,5+
InChIKeyOBSSYMVMQBODMU-SYDPRGILSA-N
XLogP-0.92
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol 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 (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (CID 130742356) is (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is O[C@@H]1CN(c2ncns2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The InChIKey is OBSSYMVMQBODMU-SYDPRGILSA-N. The full InChI is InChI=1S/C6H9N3O2S/c10-4-1-9(2-5(4)11)6-7-3-8-12-6/h3-5,10-11H,1-2H2/t4-,5+.
What are the key properties of (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol has a molecular weight of 187.22 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 130742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).