2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine

C5H10N4S — CID 65275741

IUPAC2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncns1
InChIInChI=1S/C5H10N4S/c1-4(2-6)9-5-7-3-8-10-5/h3-4H,2,6H2,1H3,(H,7,8,9)
InChIKeyQMEGOQLJQXHXII-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.30
Rot. Bonds3

About 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine

2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine (PubChem CID 65275741) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine
PubChem CID65275741
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ncns1
InChIInChI=1S/C5H10N4S/c1-4(2-6)9-5-7-3-8-10-5/h3-4H,2,6H2,1H3,(H,7,8,9)
InChIKeyQMEGOQLJQXHXII-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine (CID 65275741) is 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine is CC(CN)Nc1ncns1.
What is the InChIKey of 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The InChIKey is QMEGOQLJQXHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-4(2-6)9-5-7-3-8-10-5/h3-4H,2,6H2,1H3,(H,7,8,9).
What are the key properties of 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine has a molecular weight of 158.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,4-thiadiazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 65275741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).