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

C7H13N3O2S — CID 65277179

IUPACN-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1ncns1
InChIInChI=1S/C7H13N3O2S/c1-11-4-5-12-3-2-8-7-9-6-10-13-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyYQUHLJNMJPYVDA-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.61
Rot. Bonds7

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

N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277179) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277179
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1ncns1
InChIInChI=1S/C7H13N3O2S/c1-11-4-5-12-3-2-8-7-9-6-10-13-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyYQUHLJNMJPYVDA-UHFFFAOYSA-N
XLogP0.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
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-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65277179) is N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is COCCOCCNc1ncns1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YQUHLJNMJPYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-11-4-5-12-3-2-8-7-9-6-10-13-7/h6H,2-5H2,1H3,(H,8,9,10).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 203.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).