3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine

C9H13N3S — CID 65268888

IUPAC3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESC1CC(c2nsc(NC3CC3)n2)C1
InChIInChI=1S/C9H13N3S/c1-2-6(3-1)8-11-9(13-12-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyDALUEUJLJHZFCZ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.38
Rot. Bonds3

About 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine

3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268888) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65268888
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESC1CC(c2nsc(NC3CC3)n2)C1
InChIInChI=1S/C9H13N3S/c1-2-6(3-1)8-11-9(13-12-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyDALUEUJLJHZFCZ-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65268888) is 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine is C1CC(c2nsc(NC3CC3)n2)C1.
What is the InChIKey of 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DALUEUJLJHZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-6(3-1)8-11-9(13-12-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 195.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).