5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine

C7H11N3S — CID 131127703

IUPAC5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCC2CC2)s1
InChIInChI=1S/C7H11N3S/c8-7-10-9-6(11-7)4-3-5-1-2-5/h5H,1-4H2,(H2,8,10)
InChIKeyLCEYDXPDDLDHSX-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.46
Rot. Bonds3

About 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine

5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 131127703) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID131127703
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCC2CC2)s1
InChIInChI=1S/C7H11N3S/c8-7-10-9-6(11-7)4-3-5-1-2-5/h5H,1-4H2,(H2,8,10)
InChIKeyLCEYDXPDDLDHSX-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine (CID 131127703) is 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CCC2CC2)s1.
What is the InChIKey of 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LCEYDXPDDLDHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-7-10-9-6(11-7)4-3-5-1-2-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131127703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).