4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine

C7H9N3S — CID 89162544

IUPAC4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCC1=CN=C(C)C2NSN=C12
InChIInChI=1S/C7H9N3S/c1-4-3-8-5(2)7-6(4)9-11-10-7/h3,7,10H,1-2H3
InChIKeyFOMHZNCRGTZCHU-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.34
Rot. Bonds

About 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine

4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 89162544) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID89162544
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCC1=CN=C(C)C2NSN=C12
InChIInChI=1S/C7H9N3S/c1-4-3-8-5(2)7-6(4)9-11-10-7/h3,7,10H,1-2H3
InChIKeyFOMHZNCRGTZCHU-UHFFFAOYSA-N
XLogP1.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine 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 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 89162544) is 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine is CC1=CN=C(C)C2NSN=C12.
What is the InChIKey of 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is FOMHZNCRGTZCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-4-3-8-5(2)7-6(4)9-11-10-7/h3,7,10H,1-2H3.
What are the key properties of 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine?
4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 167.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 89162544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).