5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine

C7H13N5S — CID 83024267

IUPAC5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NN2CCCCC2)n1
InChIInChI=1S/C7H13N5S/c8-6-9-7(13-11-6)10-12-4-2-1-3-5-12/h1-5H2,(H3,8,9,10,11)
InChIKeyDEZSGKXPLYSBSF-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.93
Rot. Bonds2

About 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine

5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 83024267) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID83024267
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NN2CCCCC2)n1
InChIInChI=1S/C7H13N5S/c8-6-9-7(13-11-6)10-12-4-2-1-3-5-12/h1-5H2,(H3,8,9,10,11)
InChIKeyDEZSGKXPLYSBSF-UHFFFAOYSA-N
XLogP0.93
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine (CID 83024267) is 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NN2CCCCC2)n1.
What is the InChIKey of 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DEZSGKXPLYSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c8-6-9-7(13-11-6)10-12-4-2-1-3-5-12/h1-5H2,(H3,8,9,10,11).
What are the key properties of 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine?
5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 199.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-piperidin-1-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 83024267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).