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

C5H9N3S — CID 575394

IUPAC5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N)s1
InChIInChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
InChIKeyNLQURINLKRAGIF-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.07
Rot. Bonds2

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

5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 575394) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID575394
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N)s1
InChIInChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
InChIKeyNLQURINLKRAGIF-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 5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propyl-1,3,4-thiadiazol-2-amine (CID 575394) is 5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(N)s1.
What is the InChIKey of 5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NLQURINLKRAGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8).
What are the key properties of 5-propyl-1,3,4-thiadiazol-2-amine?
5-propyl-1,3,4-thiadiazol-2-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 5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 575394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).