5-N-propyl-1,2,4-thiadiazole-3,5-diamine

C5H10N4S — CID 65440648

IUPAC5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCNc1nc(N)ns1
InChIInChI=1S/C5H10N4S/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyKUFJNLDVQZICPK-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.94
Rot. Bonds3

About 5-N-propyl-1,2,4-thiadiazole-3,5-diamine

5-N-propyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 65440648) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-N-propyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID65440648
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCNc1nc(N)ns1
InChIInChI=1S/C5H10N4S/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyKUFJNLDVQZICPK-UHFFFAOYSA-N
XLogP0.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-propyl-1,2,4-thiadiazole-3,5-diamine (CID 65440648) is 5-N-propyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-propyl-1,2,4-thiadiazole-3,5-diamine is CCCNc1nc(N)ns1.
What is the InChIKey of 5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is KUFJNLDVQZICPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-2-3-7-5-8-4(6)9-10-5/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
5-N-propyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 158.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 65440648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).