imidazo[5,1-b][1,3,4]thiadiazole

C4H3N3S — CID 69487822

IUPACimidazo[5,1-b][1,3,4]thiadiazole
SMILESc1nn2cncc2s1
InChIInChI=1S/C4H3N3S/c1-4-7(2-5-1)6-3-8-4/h1-3H
InChIKeyWDZQNCCGDMDODS-UHFFFAOYSA-N
MW125.16 g/mol
LogP0.79
Rot. Bonds

About imidazo[5,1-b][1,3,4]thiadiazole

imidazo[5,1-b][1,3,4]thiadiazole (PubChem CID 69487822) has the molecular formula C4H3N3S and a molecular weight of 125.16 g/mol. Its IUPAC name is imidazo[5,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3,4]thiadiazole
PubChem CID69487822
Molecular FormulaC4H3N3S
Molecular Weight125.16 g/mol
Exact Mass125.00
IUPAC Nameimidazo[5,1-b][1,3,4]thiadiazole
SMILESc1nn2cncc2s1
InChIInChI=1S/C4H3N3S/c1-4-7(2-5-1)6-3-8-4/h1-3H
InChIKeyWDZQNCCGDMDODS-UHFFFAOYSA-N
XLogP0.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b][1,3,4]thiadiazole?
The IUPAC name of imidazo[5,1-b][1,3,4]thiadiazole (CID 69487822) is imidazo[5,1-b][1,3,4]thiadiazole.
What is the SMILES notation for imidazo[5,1-b][1,3,4]thiadiazole?
The canonical SMILES for imidazo[5,1-b][1,3,4]thiadiazole is c1nn2cncc2s1.
What is the InChIKey of imidazo[5,1-b][1,3,4]thiadiazole?
The InChIKey is WDZQNCCGDMDODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S/c1-4-7(2-5-1)6-3-8-4/h1-3H.
What are the key properties of imidazo[5,1-b][1,3,4]thiadiazole?
imidazo[5,1-b][1,3,4]thiadiazole has a molecular weight of 125.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 69487822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).