3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine

C5H10N4S — CID 83872911

IUPAC3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(N)Cc1nsc(N)n1
InChIInChI=1S/C5H10N4S/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H2,7,8,9)
InChIKeyOLPOUOFYROLJMM-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.01
Rot. Bonds2

About 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine

3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 83872911) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine
PubChem CID83872911
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(N)Cc1nsc(N)n1
InChIInChI=1S/C5H10N4S/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H2,7,8,9)
InChIKeyOLPOUOFYROLJMM-UHFFFAOYSA-N
XLogP0.01
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine (CID 83872911) is 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine is CC(N)Cc1nsc(N)n1.
What is the InChIKey of 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OLPOUOFYROLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H2,7,8,9).
What are the key properties of 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine?
3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 158.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 83872911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).