imidazo[4,5-e]thiadiazine

C4H2N4S — CID 67373119

IUPACimidazo[4,5-e]thiadiazine
SMILESc1nc2cnnsc-2n1
InChIInChI=1S/C4H2N4S/c1-3-4(6-2-5-3)9-8-7-1/h1-2H
InChIKeyWMDZACXKPQRXLU-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.43
Rot. Bonds

About imidazo[4,5-e]thiadiazine

imidazo[4,5-e]thiadiazine (PubChem CID 67373119) has the molecular formula C4H2N4S and a molecular weight of 138.16 g/mol. Its IUPAC name is imidazo[4,5-e]thiadiazine.

Molecular Properties

Compound Nameimidazo[4,5-e]thiadiazine
PubChem CID67373119
Molecular FormulaC4H2N4S
Molecular Weight138.16 g/mol
Exact Mass138.00
IUPAC Nameimidazo[4,5-e]thiadiazine
SMILESc1nc2cnnsc-2n1
InChIInChI=1S/C4H2N4S/c1-3-4(6-2-5-3)9-8-7-1/h1-2H
InChIKeyWMDZACXKPQRXLU-UHFFFAOYSA-N
XLogP0.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-e]thiadiazine?
The IUPAC name of imidazo[4,5-e]thiadiazine (CID 67373119) is imidazo[4,5-e]thiadiazine.
What is the SMILES notation for imidazo[4,5-e]thiadiazine?
The canonical SMILES for imidazo[4,5-e]thiadiazine is c1nc2cnnsc-2n1.
What is the InChIKey of imidazo[4,5-e]thiadiazine?
The InChIKey is WMDZACXKPQRXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4S/c1-3-4(6-2-5-3)9-8-7-1/h1-2H.
What are the key properties of imidazo[4,5-e]thiadiazine?
imidazo[4,5-e]thiadiazine has a molecular weight of 138.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-e]thiadiazine is sourced from PubChem (CID 67373119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).