N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C7H14N4S — CID 65272512

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCc1nsc(NCCCN)n1
InChIInChI=1S/C7H14N4S/c1-2-6-10-7(12-11-6)9-5-3-4-8/h2-5,8H2,1H3,(H,9,10,11)
InChIKeyIMMCBXBSQYEZAE-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.86
Rot. Bonds5

About N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65272512) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65272512
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCc1nsc(NCCCN)n1
InChIInChI=1S/C7H14N4S/c1-2-6-10-7(12-11-6)9-5-3-4-8/h2-5,8H2,1H3,(H,9,10,11)
InChIKeyIMMCBXBSQYEZAE-UHFFFAOYSA-N
XLogP0.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65272512) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CCc1nsc(NCCCN)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is IMMCBXBSQYEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-2-6-10-7(12-11-6)9-5-3-4-8/h2-5,8H2,1H3,(H,9,10,11).
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65272512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).