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

C7H11N3S — CID 2063687

IUPAC5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H11N3S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKeyMGSBORAJOCQFOK-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.78
Rot. Bonds1

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

5-cyclopentyl-1,3,4-thiadiazol-2-amine (PubChem CID 2063687) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-cyclopentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-1,3,4-thiadiazol-2-amine
PubChem CID2063687
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H11N3S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKeyMGSBORAJOCQFOK-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-1,3,4-thiadiazol-2-amine (CID 2063687) is 5-cyclopentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-1,3,4-thiadiazol-2-amine is Nc1nnc(C2CCCC2)s1.
What is the InChIKey of 5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MGSBORAJOCQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-cyclopentyl-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-1,3,4-thiadiazol-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2063687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).