2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine

C4H9N5S — CID 105431241

IUPAC2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNCCNc1nnc(N)s1
InChIInChI=1S/C4H9N5S/c5-1-2-7-4-9-8-3(6)10-4/h1-2,5H2,(H2,6,8)(H,7,9)
InChIKeyFOZUBMLZSQHXGU-UHFFFAOYSA-N
MW159.22 g/mol
LogP-0.51
Rot. Bonds3

About 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine

2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 105431241) has the molecular formula C4H9N5S and a molecular weight of 159.22 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID105431241
Molecular FormulaC4H9N5S
Molecular Weight159.22 g/mol
Exact Mass159.06
IUPAC Name2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNCCNc1nnc(N)s1
InChIInChI=1S/C4H9N5S/c5-1-2-7-4-9-8-3(6)10-4/h1-2,5H2,(H2,6,8)(H,7,9)
InChIKeyFOZUBMLZSQHXGU-UHFFFAOYSA-N
XLogP-0.51
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine (CID 105431241) is 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine is NCCNc1nnc(N)s1.
What is the InChIKey of 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is FOZUBMLZSQHXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S/c5-1-2-7-4-9-8-3(6)10-4/h1-2,5H2,(H2,6,8)(H,7,9).
What are the key properties of 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 159.22 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 105431241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).