2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine

C7H11N3S — CID 64982643

IUPAC2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESNCCc1nnc(C2CC2)s1
InChIInChI=1S/C7H11N3S/c8-4-3-6-9-10-7(11-6)5-1-2-5/h5H,1-4,8H2
InChIKeyHRQGGZVIQYKAST-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.92
Rot. Bonds3

About 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine

2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 64982643) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID64982643
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESNCCc1nnc(C2CC2)s1
InChIInChI=1S/C7H11N3S/c8-4-3-6-9-10-7(11-6)5-1-2-5/h5H,1-4,8H2
InChIKeyHRQGGZVIQYKAST-UHFFFAOYSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 64982643) is 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine is NCCc1nnc(C2CC2)s1.
What is the InChIKey of 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is HRQGGZVIQYKAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-4-3-6-9-10-7(11-6)5-1-2-5/h5H,1-4,8H2.
What are the key properties of 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine?
2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 169.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 64982643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).