3-pentan-3-yl-1,2,4-thiadiazol-5-amine

C7H13N3S — CID 62314696

IUPAC3-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)c1nsc(N)n1
InChIInChI=1S/C7H13N3S/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyLPFUKXREAKSOED-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.02
Rot. Bonds3

About 3-pentan-3-yl-1,2,4-thiadiazol-5-amine

3-pentan-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 62314696) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-pentan-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-pentan-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID62314696
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name3-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCC(CC)c1nsc(N)n1
InChIInChI=1S/C7H13N3S/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10)
InChIKeyLPFUKXREAKSOED-UHFFFAOYSA-N
XLogP2.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-pentan-3-yl-1,2,4-thiadiazol-5-amine (CID 62314696) is 3-pentan-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-pentan-3-yl-1,2,4-thiadiazol-5-amine is CCC(CC)c1nsc(N)n1.
What is the InChIKey of 3-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is LPFUKXREAKSOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-5(4-2)6-9-7(8)11-10-6/h5H,3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of 3-pentan-3-yl-1,2,4-thiadiazol-5-amine?
3-pentan-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 62314696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).