5-N-ethyl-1,2,4-thiadiazole-3,5-diamine

C4H8N4S — CID 55281762

IUPAC5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCNc1nc(N)ns1
InChIInChI=1S/C4H8N4S/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H3,5,6,7,8)
InChIKeyCJWMEIISLUCKAO-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.55
Rot. Bonds2

About 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine

5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 55281762) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID55281762
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCNc1nc(N)ns1
InChIInChI=1S/C4H8N4S/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H3,5,6,7,8)
InChIKeyCJWMEIISLUCKAO-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine (CID 55281762) is 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine is CCNc1nc(N)ns1.
What is the InChIKey of 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is CJWMEIISLUCKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-2-6-4-7-3(5)8-9-4/h2H2,1H3,(H3,5,6,7,8).
What are the key properties of 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine?
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 144.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 55281762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).