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

C5H9N3S — CID 65268873

IUPACN-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1ncns1
InChIInChI=1S/C5H9N3S/c1-2-3-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyKAPLCEZFHMXOIF-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.36
Rot. Bonds3

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

N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268873) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268873
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC NameN-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1ncns1
InChIInChI=1S/C5H9N3S/c1-2-3-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyKAPLCEZFHMXOIF-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-1,2,4-thiadiazol-5-amine (CID 65268873) is N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1ncns1.
What is the InChIKey of N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KAPLCEZFHMXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-3-6-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of N-propyl-1,2,4-thiadiazol-5-amine?
N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 143.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).