imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C4H4N4S — CID 21107668

IUPACimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1cnc2scnn12
InChIInChI=1S/C4H4N4S/c5-3-1-6-4-8(3)7-2-9-4/h1-2H,5H2
InChIKeyDPOMKSLRMOJDNN-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.37
Rot. Bonds

About imidazo[2,1-b][1,3,4]thiadiazol-5-amine

imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 21107668) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID21107668
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC Nameimidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESNc1cnc2scnn12
InChIInChI=1S/C4H4N4S/c5-3-1-6-4-8(3)7-2-9-4/h1-2H,5H2
InChIKeyDPOMKSLRMOJDNN-UHFFFAOYSA-N
XLogP0.37
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 21107668) is imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for imidazo[2,1-b][1,3,4]thiadiazol-5-amine is Nc1cnc2scnn12.
What is the InChIKey of imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is DPOMKSLRMOJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S/c5-3-1-6-4-8(3)7-2-9-4/h1-2H,5H2.
What are the key properties of imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 140.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 21107668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).