3-propyl-1,2,4-thiadiazol-5-amine

C5H9N3S — CID 575489

IUPAC3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(N)n1
InChIInChI=1S/C5H9N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H2,6,7,8)
InChIKeyFFNJNXAQRQAKMW-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.07
Rot. Bonds2

About 3-propyl-1,2,4-thiadiazol-5-amine

3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 575489) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID575489
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(N)n1
InChIInChI=1S/C5H9N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H2,6,7,8)
InChIKeyFFNJNXAQRQAKMW-UHFFFAOYSA-N
XLogP1.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propyl-1,2,4-thiadiazol-5-amine (CID 575489) is 3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(N)n1.
What is the InChIKey of 3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FFNJNXAQRQAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H2,6,7,8).
What are the key properties of 3-propyl-1,2,4-thiadiazol-5-amine?
3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 143.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 575489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).