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

C7H14N4S — CID 65270230

IUPACN'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CCCN)c1ncns1
InChIInChI=1S/C7H14N4S/c1-2-11(5-3-4-8)7-9-6-10-12-7/h6H,2-5,8H2,1H3
InChIKeyZYDFRHUQBSFVMS-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.71
Rot. Bonds5

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

N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270230) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270230
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CCCN)c1ncns1
InChIInChI=1S/C7H14N4S/c1-2-11(5-3-4-8)7-9-6-10-12-7/h6H,2-5,8H2,1H3
InChIKeyZYDFRHUQBSFVMS-UHFFFAOYSA-N
XLogP0.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270230) is N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CCN(CCCN)c1ncns1.
What is the InChIKey of N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is ZYDFRHUQBSFVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-2-11(5-3-4-8)7-9-6-10-12-7/h6H,2-5,8H2,1H3.
What are the key properties of N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).