pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine

C5H6N4S — CID 21107777

IUPACpyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine
SMILESNc1cc2scnn2c1N
InChIInChI=1S/C5H6N4S/c6-3-1-4-9(5(3)7)8-2-10-4/h1-2H,6-7H2
InChIKeyQJDOQLPPTOMPLO-UHFFFAOYSA-N
MW154.20 g/mol
LogP0.56
Rot. Bonds

About pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine

pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine (PubChem CID 21107777) has the molecular formula C5H6N4S and a molecular weight of 154.20 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine
PubChem CID21107777
Molecular FormulaC5H6N4S
Molecular Weight154.20 g/mol
Exact Mass154.03
IUPAC Namepyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine
SMILESNc1cc2scnn2c1N
InChIInChI=1S/C5H6N4S/c6-3-1-4-9(5(3)7)8-2-10-4/h1-2H,6-7H2
InChIKeyQJDOQLPPTOMPLO-UHFFFAOYSA-N
XLogP0.56
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine?
The IUPAC name of pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine (CID 21107777) is pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine.
What is the SMILES notation for pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine?
The canonical SMILES for pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine is Nc1cc2scnn2c1N.
What is the InChIKey of pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine?
The InChIKey is QJDOQLPPTOMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4S/c6-3-1-4-9(5(3)7)8-2-10-4/h1-2H,6-7H2.
What are the key properties of pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine?
pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine has a molecular weight of 154.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3,4]thiadiazole-5,6-diamine is sourced from PubChem (CID 21107777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).