4-(4,5-dihydrothiadiazol-4-yl)thiadiazole

C4H4N4S2 — CID 68544467

IUPAC4-(4,5-dihydrothiadiazol-4-yl)thiadiazole
SMILESc1snnc1C1CSN=N1
InChIInChI=1S/C4H4N4S2/c1-3(5-7-9-1)4-2-10-8-6-4/h1,4H,2H2
InChIKeyVHFYATANSXXOMU-UHFFFAOYSA-N
MW172.24 g/mol
LogP1.69
Rot. Bonds1

About 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole

4-(4,5-dihydrothiadiazol-4-yl)thiadiazole (PubChem CID 68544467) has the molecular formula C4H4N4S2 and a molecular weight of 172.24 g/mol. Its IUPAC name is 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole.

Molecular Properties

Compound Name4-(4,5-dihydrothiadiazol-4-yl)thiadiazole
PubChem CID68544467
Molecular FormulaC4H4N4S2
Molecular Weight172.24 g/mol
Exact Mass171.99
IUPAC Name4-(4,5-dihydrothiadiazol-4-yl)thiadiazole
SMILESc1snnc1C1CSN=N1
InChIInChI=1S/C4H4N4S2/c1-3(5-7-9-1)4-2-10-8-6-4/h1,4H,2H2
InChIKeyVHFYATANSXXOMU-UHFFFAOYSA-N
XLogP1.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole?
The IUPAC name of 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole (CID 68544467) is 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole.
What is the SMILES notation for 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole?
The canonical SMILES for 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole is c1snnc1C1CSN=N1.
What is the InChIKey of 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole?
The InChIKey is VHFYATANSXXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S2/c1-3(5-7-9-1)4-2-10-8-6-4/h1,4H,2H2.
What are the key properties of 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole?
4-(4,5-dihydrothiadiazol-4-yl)thiadiazole has a molecular weight of 172.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydrothiadiazol-4-yl)thiadiazole is sourced from PubChem (CID 68544467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).