3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine

C9H13N3OS — CID 80713865

IUPAC3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC(Nc2nc(C3CC3)ns2)CO1
InChIInChI=1S/C9H13N3OS/c1-2-6(1)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyMVIIHZOEFKBRRA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.62
Rot. Bonds3

About 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 80713865) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID80713865
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC(Nc2nc(C3CC3)ns2)CO1
InChIInChI=1S/C9H13N3OS/c1-2-6(1)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyMVIIHZOEFKBRRA-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-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 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine (CID 80713865) is 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine is C1CC(Nc2nc(C3CC3)ns2)CO1.
What is the InChIKey of 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MVIIHZOEFKBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-6(1)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(oxolan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80713865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).