N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C4H8N4S — CID 65272508

IUPACN'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1ncns1
InChIInChI=1S/C4H8N4S/c5-1-2-6-4-7-3-8-9-4/h3H,1-2,5H2,(H,6,7,8)
InChIKeyRZIYDJASVSIUPI-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.09
Rot. Bonds3

About N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65272508) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65272508
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC NameN'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1ncns1
InChIInChI=1S/C4H8N4S/c5-1-2-6-4-7-3-8-9-4/h3H,1-2,5H2,(H,6,7,8)
InChIKeyRZIYDJASVSIUPI-UHFFFAOYSA-N
XLogP-0.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65272508) is N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is NCCNc1ncns1.
What is the InChIKey of N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is RZIYDJASVSIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c5-1-2-6-4-7-3-8-9-4/h3H,1-2,5H2,(H,6,7,8).
What are the key properties of N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 144.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).