N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine

C6H12N4OS — CID 65277885

IUPACN-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESNCCOCCNc1ncns1
InChIInChI=1S/C6H12N4OS/c7-1-3-11-4-2-8-6-9-5-10-12-6/h5H,1-4,7H2,(H,8,9,10)
InChIKeyJPQINWXMAQCIPF-UHFFFAOYSA-N
MW188.26 g/mol
LogP-0.07
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine

N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277885) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277885
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESNCCOCCNc1ncns1
InChIInChI=1S/C6H12N4OS/c7-1-3-11-4-2-8-6-9-5-10-12-6/h5H,1-4,7H2,(H,8,9,10)
InChIKeyJPQINWXMAQCIPF-UHFFFAOYSA-N
XLogP-0.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65277885) is N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine is NCCOCCNc1ncns1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JPQINWXMAQCIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c7-1-3-11-4-2-8-6-9-5-10-12-6/h5H,1-4,7H2,(H,8,9,10).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 188.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).