imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine

C4H5N5S — CID 21107666

IUPACimidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine
SMILESNc1cn2nc(N)sc2n1
InChIInChI=1S/C4H5N5S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H,5H2,(H2,6,8)
InChIKeyCWSWYVFPLCXQTI-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.04
Rot. Bonds

About imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine

imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine (PubChem CID 21107666) has the molecular formula C4H5N5S and a molecular weight of 155.19 g/mol. Its IUPAC name is imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine
PubChem CID21107666
Molecular FormulaC4H5N5S
Molecular Weight155.19 g/mol
Exact Mass155.03
IUPAC Nameimidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine
SMILESNc1cn2nc(N)sc2n1
InChIInChI=1S/C4H5N5S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H,5H2,(H2,6,8)
InChIKeyCWSWYVFPLCXQTI-UHFFFAOYSA-N
XLogP-0.04
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine?
The IUPAC name of imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine (CID 21107666) is imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine.
What is the SMILES notation for imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine?
The canonical SMILES for imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine is Nc1cn2nc(N)sc2n1.
What is the InChIKey of imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine?
The InChIKey is CWSWYVFPLCXQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H,5H2,(H2,6,8).
What are the key properties of imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine?
imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine has a molecular weight of 155.19 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3,4]thiadiazole-2,6-diamine is sourced from PubChem (CID 21107666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).